N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C

InChI

InChI=1S/C21H25N3O4S2/c1-4-24(5-2)30(27,28)19-13-16(8-6-14(19)3)22-21(26)15-7-9-18-17(12-15)23-20(25)10-11-29-18/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,26)(H,23,25)