7-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[[4-[isopropyl(methyl)amino]-1-piperidyl]sulfonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-[methyl(propan-2-yl)amino]-1-piperidinyl]sulfonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-[isopropyl(methyl)amino]piperidino]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC(C)N(C)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C18H27N3O3S2/c1-13(2)20(3)14-6-9-21(10-7-14)26(23,24)15-4-5-17-16(12-15)19-18(22)8-11-25-17/h4-5,12-14H,6-11H2,1-3H3,(H,19,22)