N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide (CHEBI:103774)

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CHEBI:103774 - N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide

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ChEBI ID	CHEBI:103774
ChEBI Name	N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide
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Downloads	Molfile

Formula	C27H36N2O6S2
Net Charge	0
Average Mass	548.727
Monoisotopic Mass	548.20148
SMILES	Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3cc(C4=CCCC4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@H]2C)cc1
InChI	InChI=1S/C27H36N2O6S2/c1-19-9-12-24(13-10-19)36(31,32)28(4)17-26-20(2)16-29(21(3)18-30)37(33,34)27-14-11-23(15-25(27)35-26)22-7-5-6-8-22/h7,9-15,20-21,26,30H,5-6,8,16-18H2,1-4H3/t20-,21+,26+/m1/s1
InChIKey	ZNXYRHHWSDGXHP-SWYRRKHMSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide (CHEBI:103774) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-15118	LINCS