1-[5-[(3-chlorophenyl)methyl]-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepin-3-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[5-[(3-chlorophenyl)methyl]-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepin-3-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[5-[(3-chlorophenyl)methyl]-6,11-dioxo-benzo[b][1,4]benzothiazepine-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[5-[(3-chlorophenyl)methyl]-6,11-dioxo-3-benzo[b][1,4]benzothiazepinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[5-[(3-chlorophenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[5-(3-chlorobenzyl)-6,11-diketo-benzo[b][1,4]benzothiazepine-3-carbonyl]isonipecotamide Formula: C27H24ClN3O4S MolecularWeight: 522.01516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H24ClN3O4S/c28-20-5-3-4-17(14-20)16-31-22-15-19(26(33)30-12-10-18(11-13-30)25(29)32)8-9-24(22)36(35)23-7-2-1-6-21(23)27(31)34/h1-9,14-15,18H,10-13,16H2,(H2,29,32)