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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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