4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-N,N-diethyl-2-oxidanylidene-1H-quinoline-6-sulfonamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-N,N-diethyl-2-oxidanylidene-1H-quinoline-6-sulfonamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide CAS Name: 4-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-N,N-diethyl-2-keto-1H-quinoline-6-sulfonamide Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2C(=O)N3CCCSC4=CC=CC=C43

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2C(=O)N3CCCSC4=CC=CC=C43

InChI

InChI=1S/C23H25N3O4S2/c1-3-25(4-2)32(29,30)16-10-11-19-17(14-16)18(15-22(27)24-19)23(28)26-12-7-13-31-21-9-6-5-8-20(21)26/h5-6,8-11,14-15H,3-4,7,12-13H2,1-2H3,(H,24,27)