1-[3-[4-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-1-piperidyl]sulfonyl]phenyl]ethanone CAS Name: 1-[3-[[4-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]-1-piperidinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)piperidino]sulfonylphenyl]ethanone Formula: C24H28N2O4S2 MolecularWeight: 472.62012

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)C

InChI

InChI=1S/C24H28N2O4S2/c1-17-10-15-26(22-8-3-4-9-23(22)31-17)24(28)19-11-13-25(14-12-19)32(29,30)21-7-5-6-20(16-21)18(2)27/h3-9,16-17,19H,10-15H2,1-2H3