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

Systemtic Name: N-[4-[[2-(2-methylsulfonylethyl)-4-oxidanylidene-1,5-benzothiazepin-5-yl]methyl]phenyl]-2-phenyl-benzamide Openeye Name: N-[4-[[2-(2-methylsulfonylethyl)-4-oxo-1,5-benzothiazepin-5-yl]methyl]phenyl]-2-phenyl-benzamide CAS Name: N-[4-[[2-(2-methylsulfonylethyl)-4-oxo-1,5-benzothiazepin-5-yl]methyl]phenyl]-2-phenylbenzamide IUPAC Name: N-[4-[[2-(2-methylsulfonylethyl)-4-oxo-1,5-benzothiazepin-5-yl]methyl]phenyl]-2-phenylbenzamide Traditional Name: N-[4-[[4-keto-2-(2-mesylethyl)-1,5-benzothiazepin-5-yl]methyl]phenyl]-2-phenyl-benzamide Formula: C32H28N2O4S2 MolecularWeight: 568.70572

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC1=CC(=O)N(C2=CC=CC=C2S1)CC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)CCC1=CC(=O)N(C2=CC=CC=C2S1)CC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C32H28N2O4S2/c1-40(37,38)20-19-26-21-31(35)34(29-13-7-8-14-30(29)39-26)22-23-15-17-25(18-16-23)33-32(36)28-12-6-5-11-27(28)24-9-3-2-4-10-24/h2-18,21H,19-20,22H2,1H3,(H,33,36)