N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide (CHEBI:96189)

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CHEBI:96189 - N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide

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ChEBI ID	CHEBI:96189
ChEBI Name	N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide
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Downloads	Molfile

Formula	C29H33N3O6S2
Net Charge	0
Average Mass	583.732
Monoisotopic Mass	583.18108
SMILES	Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3cc(C#Cc4ccncc4)ccc3S(=O)(=O)N([C@H](C)CO)C[C@H]2C)cc1
InChI	InChI=1S/C29H33N3O6S2/c1-21-5-10-26(11-6-21)39(34,35)31(4)19-28-22(2)18-32(23(3)20-33)40(36,37)29-12-9-25(17-27(29)38-28)8-7-24-13-15-30-16-14-24/h5-6,9-17,22-23,28,33H,18-20H2,1-4H3/t22-,23-,28+/m1/s1
InChIKey	GOIFBKSVWMRRGJ-MRJKTFCFSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide (CHEBI:96189) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-7568	LINCS