N-(4-methoxy-3-sulfamoyl-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-(4-methoxy-3-sulfamoyl-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(4-methoxy-3-sulfamoyl-phenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-(4-methoxy-3-sulfamoylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(4-methoxy-3-sulfamoylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(4-methoxy-3-sulfamoyl-phenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)S(=O)(=O)N

InChI

InChI=1S/C17H17N3O5S2/c1-25-13-4-3-11(9-15(13)27(18,23)24)19-17(22)10-2-5-14-12(8-10)20-16(21)6-7-26-14/h2-5,8-9H,6-7H2,1H3,(H,19,22)(H,20,21)(H2,18,23,24)