2-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 2-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 2-methyl-7-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 2-methyl-7-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 2-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 2-methyl-7-[4-(2-pyridyl)piperazino]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C19H22N4O3S2/c1-14-12-19(24)21-16-13-15(5-6-17(16)27-14)28(25,26)23-10-8-22(9-11-23)18-4-2-3-7-20-18/h2-7,13-14H,8-12H2,1H3,(H,21,24)