N-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide (CHEBI:125958)

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CHEBI:125958 - N-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide

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ChEBI ID	CHEBI:125958
ChEBI Name	N-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide
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Downloads	Molfile

Formula	C23H31N3O5S
Net Charge	0
Average Mass	461.584
Monoisotopic Mass	461.19844
SMILES	C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@@H]1CN(C)C
InChI	InChI=1S/C23H31N3O5S/c1-16-13-26(17(2)15-27)23(28)20-12-18(10-11-21(20)31-22(16)14-25(3)4)24-32(29,30)19-8-6-5-7-9-19/h5-12,16-17,22,24,27H,13-15H2,1-4H3/t16-,17-,22+/m0/s1
InChIKey	WIJHLCNCWFONNF-PNLZDCPESA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide (CHEBI:125958) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-37525	LINCS