5-[(2-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-6,11,11-tris(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(2-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-6,11,11-tris(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(2-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-6,11,11-trioxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(2-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-6,11,11-trioxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(2-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-6,11,11-trioxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(2-fluorobenzyl)-6,11,11-triketo-N-(4-methylcyclohexyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H27FN2O4S MolecularWeight: 506.588383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5F

Isomeric SMILES

CC1CCC(CC1)NC(=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5F

InChI

InChI=1S/C28H27FN2O4S/c1-18-10-13-21(14-11-18)30-27(32)19-12-15-26-24(16-19)31(17-20-6-2-4-8-23(20)29)28(33)22-7-3-5-9-25(22)36(26,34)35/h2-9,12,15-16,18,21H,10-11,13-14,17H2,1H3,(H,30,32)