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

Systemtic Name: 4-[4-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 4-[[4-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)piperidino]sulfonylbenzonitrile Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S2/c1-17-10-15-26(21-4-2-3-5-22(21)30-17)23(27)19-11-13-25(14-12-19)31(28,29)20-8-6-18(16-24)7-9-20/h2-9,17,19H,10-15H2,1H3