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

Systemtic Name: N-[4-[[2-(2-methylsulfonylethyl)-4H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-phenyl-benzamide Openeye Name: N-[4-[[2-(2-methylsulfonylethyl)-4H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-phenyl-benzamide CAS Name: N-[4-[[2-(2-methylsulfonylethyl)-4H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-phenylbenzamide IUPAC Name: N-[4-[[2-(2-methylsulfonylethyl)-4H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-phenylbenzamide Traditional Name: N-[4-[[2-(2-mesylethyl)-4H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-phenyl-benzamide Formula: C31H28N2O5S3 MolecularWeight: 604.75942

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC1=CCN(C2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)CCC1=CCN(C2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C31H28N2O5S3/c1-40(35,36)22-20-25-19-21-33(29-13-7-8-14-30(29)39-25)41(37,38)26-17-15-24(16-18-26)32-31(34)28-12-6-5-11-27(28)23-9-3-2-4-10-23/h2-19H,20-22H2,1H3,(H,32,34)