2-methyl-N-[4-[[2-(2-methylsulfonylethyl)-2H-1,5-benzothiazepin-5-yl]carbonyl]phenyl]benzamide

Systemtic Name: 2-methyl-N-[4-[[2-(2-methylsulfonylethyl)-2H-1,5-benzothiazepin-5-yl]carbonyl]phenyl]benzamide Openeye Name: 2-methyl-N-[4-[2-(2-methylsulfonylethyl)-2H-1,5-benzothiazepine-5-carbonyl]phenyl]benzamide CAS Name: 2-methyl-N-[4-[[2-(2-methylsulfonylethyl)-2H-1,5-benzothiazepin-5-yl]-oxomethyl]phenyl]benzamide IUPAC Name: 2-methyl-N-[4-[2-(2-methylsulfonylethyl)-2H-1,5-benzothiazepine-5-carbonyl]phenyl]benzamide Traditional Name: N-[4-[2-(2-mesylethyl)-2H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-methyl-benzamide Formula: C27H26N2O4S2 MolecularWeight: 506.63634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3C=CC(SC4=CC=CC=C43)CCS(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3C=CC(SC4=CC=CC=C43)CCS(=O)(=O)C

InChI

InChI=1S/C27H26N2O4S2/c1-19-7-3-4-8-23(19)26(30)28-21-13-11-20(12-14-21)27(31)29-17-15-22(16-18-35(2,32)33)34-25-10-6-5-9-24(25)29/h3-15,17,22H,16,18H2,1-2H3,(H,28,30)