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

Systemtic Name: 1-[3-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)piperidin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[[4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-1-piperidyl]sulfonyl]phenyl]ethanone CAS Name: 1-[3-[[4-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-1-piperidinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)piperidino]sulfonylphenyl]ethanone Formula: C23H26N2O4S2 MolecularWeight: 458.59354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCSC4=CC=CC=C43

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCSC4=CC=CC=C43

InChI

InChI=1S/C23H26N2O4S2/c1-17(26)19-6-4-7-20(16-19)31(28,29)24-13-10-18(11-14-24)23(27)25-12-5-15-30-22-9-3-2-8-21(22)25/h2-4,6-9,16,18H,5,10-15H2,1H3