6-chloro-N-[(2S)-3-(1,1-dioxidothiomorpholin-4-yl)-3-oxo-2-{[(1-pyridin-4-ylpiperidin-4-yl)methyl]amino}propyl]naphthalene-2-sulfonamide (CHEBI:47743)

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CHEBI:47743 - 6-chloro-N-[(2S)-3-(1,1-dioxidothiomorpholin-4-yl)-3-oxo-2-{[(1-pyridin-4-ylpiperidin-4-yl)methyl]amino}propyl]naphthalene-2-sulfonamide

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ChEBI ID	CHEBI:47743
ChEBI Name	6-chloro-N-[(2S)-3-(1,1-dioxidothiomorpholin-4-yl)-3-oxo-2-{[(1-pyridin-4-ylpiperidin-4-yl)methyl]amino}propyl]naphthalene-2-sulfonamide
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ASCII Name	6-chloro-N-[(2S)-3-(1,1-dioxidothiomorpholin-4-yl)-3-oxo-2-{[(1-pyridin-4-ylpiperidin-4-yl)methyl]amino}propyl]naphthalene-2-sulfonamide
Last Modified	13 November 2015
Downloads	Molfile

Formula	C28H34ClN5O5S2
Net Charge	0
Average Mass	620.197
Monoisotopic Mass	619.16899
SMILES	[H]c1nc([H])c([H])c(N2C([H])([H])C([H])([H])C([H])(C([H])([H])N([H])[C@]([H])(C(=O)N3C([H])([H])C([H])([H])S(=O)(=O)C([H])([H])C3([H])[H])C([H])([H])N([H])S(=O)(=O)c3c([H])c([H])c4c([H])c(Cl)c([H])c([H])c4c3[H])C([H])([H])C2([H])[H])c1[H]
InChI	InChI=1S/C28H34ClN5O5S2/c29-24-3-1-23-18-26(4-2-22(23)17-24)41(38,39)32-20-27(28(35)34-13-15-40(36,37)16-14-34)31-19-21-7-11-33(12-8-21)25-5-9-30-10-6-25/h1-6,9-10,17-18,21,27,31-32H,7-8,11-16,19-20H2/t27-/m0/s1
InChIKey	PCKATVPAEVWNGE-MHZLTWQESA-N

ChEBI Ontology

Outgoing Relation(s)
	6-chloro-N-[(2S)-3-(1,1-dioxidothiomorpholin-4-yl)-3-oxo-2-{[(1-pyridin-4-ylpiperidin-4-yl)methyl]amino}propyl]naphthalene-2-sulfonamide (CHEBI:47743) is a naphthalenes (CHEBI:25477)
	6-chloro-N-[(2S)-3-(1,1-dioxidothiomorpholin-4-yl)-3-oxo-2-{[(1-pyridin-4-ylpiperidin-4-yl)methyl]amino}propyl]naphthalene-2-sulfonamide (CHEBI:47743) is a organochlorine compound (CHEBI:36683)
	6-chloro-N-[(2S)-3-(1,1-dioxidothiomorpholin-4-yl)-3-oxo-2-{[(1-pyridin-4-ylpiperidin-4-yl)methyl]amino}propyl]naphthalene-2-sulfonamide (CHEBI:47743) is a pyridylpiperidine (CHEBI:48634)
	6-chloro-N-[(2S)-3-(1,1-dioxidothiomorpholin-4-yl)-3-oxo-2-{[(1-pyridin-4-ylpiperidin-4-yl)methyl]amino}propyl]naphthalene-2-sulfonamide (CHEBI:47743) is a sulfonamide (CHEBI:35358)
	6-chloro-N-[(2S)-3-(1,1-dioxidothiomorpholin-4-yl)-3-oxo-2-{[(1-pyridin-4-ylpiperidin-4-yl)methyl]amino}propyl]naphthalene-2-sulfonamide (CHEBI:47743) is a sulfone (CHEBI:35850)
	6-chloro-N-[(2S)-3-(1,1-dioxidothiomorpholin-4-yl)-3-oxo-2-{[(1-pyridin-4-ylpiperidin-4-yl)methyl]amino}propyl]naphthalene-2-sulfonamide (CHEBI:47743) is a thiomorpholines (CHEBI:36393)

Synonyms	Source
4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]-THIOMORPHOLINE-1,1-DIOXIDE	PDBeChem
6-chloro-N-[(2S)-3-(1,1-dioxidothiomorpholin-4-yl)-3-oxo-2-{[(1-pyridin-4-ylpiperidin-4-yl)methyl]amino}propyl]naphthalene-2-sulfonamide	PDBeChem

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