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

Systemtic Name: 5-[(4-fluorophenyl)methyl]-11,11-bis(oxidanylidene)-3-[4-(phenylmethyl)piperidin-1-yl]carbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-(4-benzylpiperidine-1-carbonyl)-5-[(4-fluorophenyl)methyl]-11,11-dioxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(4-fluorophenyl)methyl]-11,11-dioxo-3-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 3-(4-benzylpiperidine-1-carbonyl)-5-[(4-fluorophenyl)methyl]-11,11-dioxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-(4-benzylpiperidine-1-carbonyl)-5-(4-fluorobenzyl)-11,11-diketo-benzo[b][1,4]benzothiazepin-6-one Formula: C33H29FN2O4S MolecularWeight: 568.657763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)S(=O)(=O)C5=CC=CC=C5C(=O)N4CC6=CC=C(C=C6)F

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)S(=O)(=O)C5=CC=CC=C5C(=O)N4CC6=CC=C(C=C6)F

InChI

InChI=1S/C33H29FN2O4S/c34-27-13-10-25(11-14-27)22-36-29-21-26(12-15-31(29)41(39,40)30-9-5-4-8-28(30)33(36)38)32(37)35-18-16-24(17-19-35)20-23-6-2-1-3-7-23/h1-15,21,24H,16-20,22H2