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

Systemtic Name: 6-chloranyl-N-[(4-sulfamoylphenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-chloro-N-[(4-sulfamoylphenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-chloro-N-[(4-sulfamoylphenyl)methyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-chloro-N-[(4-sulfamoylphenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-chloro-N-(4-sulfamoylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H16ClN3O3S2 MolecularWeight: 457.95304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC3=C(S2)C=CC(=C3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC3=C(S2)C=CC(=C3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N)Cl

InChI

InChI=1S/C21H16ClN3O3S2/c22-20-16-3-1-2-4-18(16)29-19-10-7-14(11-17(19)25-20)21(26)24-12-13-5-8-15(9-6-13)30(23,27)28/h1-11H,12H2,(H,24,26)(H2,23,27,28)