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

Systemtic Name: N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S2/c1-4-25(5-2)31(28,29)18-9-6-16(7-10-18)15(3)23-22(27)17-8-11-20-19(14-17)24-21(26)12-13-30-20/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,23,27)(H,24,26)