N-(3-chloranyl-4-methyl-phenyl)-2-(3-methyl-4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-(3-methyl-4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-(3-methyl-4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[3-methyl-4-oxo-7-(1-pyrrolidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(3-methyl-4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-(4-keto-3-methyl-7-pyrrolidinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Formula: C23H26ClN3O4S2 MolecularWeight: 508.05324

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N(C1=O)CC(=O)NC4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N(C1=O)CC(=O)NC4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C23H26ClN3O4S2/c1-15-5-6-17(11-19(15)24)25-22(28)13-27-20-12-18(33(30,31)26-9-3-4-10-26)7-8-21(20)32-14-16(2)23(27)29/h5-8,11-12,16H,3-4,9-10,13-14H2,1-2H3,(H,25,28)