6-piperidin-1-yl-N-[(4-sulfamoylphenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-piperidin-1-yl-N-[(4-sulfamoylphenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-(1-piperidyl)-N-[(4-sulfamoylphenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-(1-piperidinyl)-N-[(4-sulfamoylphenyl)methyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-piperidin-1-yl-N-[(4-sulfamoylphenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-piperidino-N-(4-sulfamoylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H26N4O3S2 MolecularWeight: 506.63964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N)SC5=CC=CC=C52

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N)SC5=CC=CC=C52

InChI

InChI=1S/C26H26N4O3S2/c27-35(32,33)20-11-8-18(9-12-20)17-28-26(31)19-10-13-24-22(16-19)29-25(30-14-4-1-5-15-30)21-6-2-3-7-23(21)34-24/h2-3,6-13,16H,1,4-5,14-15,17H2,(H,28,31)(H2,27,32,33)