11,11-bis(oxidanylidene)-5-(phenylmethyl)-3-piperidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 11,11-bis(oxidanylidene)-5-(phenylmethyl)-3-piperidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-benzyl-11,11-dioxo-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 11,11-dioxo-3-[oxo(1-piperidinyl)methyl]-5-(phenylmethyl)-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-benzyl-11,11-dioxo-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-benzyl-11,11-diketo-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C26H24N2O4S/c29-25(27-15-7-2-8-16-27)20-13-14-24-22(17-20)28(18-19-9-3-1-4-10-19)26(30)21-11-5-6-12-23(21)33(24,31)32/h1,3-6,9-14,17H,2,7-8,15-16,18H2