N-[(1S)-1-(1H-benzimidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxo-1,2-thiazolidin-5-yl]phenyl}ethyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide (CHEBI:43438)

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CHEBI:43438 - N-[(1S)-1-(1H-benzimidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxo-1,2-thiazolidin-5-yl]phenyl}ethyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

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ChEBI ID	CHEBI:43438
ChEBI Name	N-[(1S)-1-(1H-benzimidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxo-1,2-thiazolidin-5-yl]phenyl}ethyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Stars
ASCII Name	N-[(1S)-1-(1H-benzimidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxo-1,2-thiazolidin-5-yl]phenyl}ethyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Last Modified	7 January 2016
Downloads	Molfile

Formula	C27H27N5O6S2
Net Charge	0
Average Mass	581.676
Monoisotopic Mass	581.14028
SMILES	[H]c1c([H])c(S(=O)(=O)N([H])[C@]([H])(c2nc3c([H])c([H])c([H])c([H])c3n2[H])C([H])([H])c2c([H])c([H])c([C@]3([H])C([H])([H])C(=O)N([H])S3(=O)=O)c([H])c2[H])c([H])c2c1N(C([H])([H])[H])C([H])([H])C([H])([H])O2
InChI	InChI=1S/C27H27N5O6S2/c1-32-12-13-38-24-15-19(10-11-23(24)32)39(34,35)30-22(27-28-20-4-2-3-5-21(20)29-27)14-17-6-8-18(9-7-17)25-16-26(33)31-40(25,36)37/h2-11,15,22,25,30H,12-14,16H2,1H3,(H,28,29)(H,31,33)/t22-,25-/m0/s1
InChIKey	QNAGNPUNGCBSIJ-DHLKQENFSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1S)-1-(1H-benzimidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxo-1,2-thiazolidin-5-yl]phenyl}ethyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide (CHEBI:43438) is a N-sulfonylcarboxamide (CHEBI:90852)
	N-[(1S)-1-(1H-benzimidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxo-1,2-thiazolidin-5-yl]phenyl}ethyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide (CHEBI:43438) is a benzimidazoles (CHEBI:22715)
	N-[(1S)-1-(1H-benzimidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxo-1,2-thiazolidin-5-yl]phenyl}ethyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide (CHEBI:43438) is a benzoxazine (CHEBI:46969)
	N-[(1S)-1-(1H-benzimidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxo-1,2-thiazolidin-5-yl]phenyl}ethyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide (CHEBI:43438) is a thiazolidinone (CHEBI:48891)

Synonym	Source
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide	PDBeChem

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