5-[(2-chlorophenyl)methyl]-3-piperidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[(2-chlorophenyl)methyl]-3-piperidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(2-chlorophenyl)methyl]-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(2-chlorophenyl)methyl]-3-[oxo(1-piperidinyl)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(2-chlorophenyl)methyl]-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(2-chlorobenzyl)-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C26H23ClN2O2S MolecularWeight: 462.99102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5Cl

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5Cl

InChI

InChI=1S/C26H23ClN2O2S/c27-21-10-4-2-8-19(21)17-29-22-16-18(25(30)28-14-6-1-7-15-28)12-13-24(22)32-23-11-5-3-9-20(23)26(29)31/h2-5,8-13,16H,1,6-7,14-15,17H2