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

Systemtic Name: 3-methyl-7-(4-methylpiperidin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 3-methyl-7-[(4-methyl-1-piperidyl)sulfonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 3-methyl-7-[(4-methyl-1-piperidinyl)sulfonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 3-methyl-7-(4-methylpiperidin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 3-methyl-7-(4-methylpiperidino)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C16H22N2O3S2 MolecularWeight: 354.48748

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(C(=O)N3)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(C(=O)N3)C

InChI

InChI=1S/C16H22N2O3S2/c1-11-5-7-18(8-6-11)23(20,21)13-3-4-15-14(9-13)17-16(19)12(2)10-22-15/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,17,19)