4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-N,N-diethyl-benzenesulfonamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-N,N-diethyl-benzenesulfonamide CAS Name: 4-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-N,N-diethylbenzenesulfonamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-N,N-diethyl-benzenesulfonamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCSC3=CC=CC=C32

InChI

InChI=1S/C20H24N2O3S2/c1-3-21(4-2)27(24,25)17-12-10-16(11-13-17)20(23)22-14-7-15-26-19-9-6-5-8-18(19)22/h5-6,8-13H,3-4,7,14-15H2,1-2H3