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

Systemtic Name: 5-[(4-fluorophenyl)methyl]-11,11-bis(oxidanylidene)-3-piperidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(4-fluorophenyl)methyl]-11,11-dioxo-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(4-fluorophenyl)methyl]-11,11-dioxo-3-[oxo(1-piperidinyl)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(4-fluorophenyl)methyl]-11,11-dioxo-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(4-fluorobenzyl)-11,11-diketo-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C26H23FN2O4S MolecularWeight: 478.535223

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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=C(C=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C26H23FN2O4S/c27-20-11-8-18(9-12-20)17-29-22-16-19(25(30)28-14-4-1-5-15-28)10-13-24(22)34(32,33)23-7-3-2-6-21(23)26(29)31/h2-3,6-13,16H,1,4-5,14-15,17H2