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

Systemtic Name: 4-chloranyl-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-N,N-diethyl-benzenesulfonamide Openeye Name: 4-chloro-3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-N,N-diethyl-benzenesulfonamide CAS Name: 4-chloro-3-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-chloro-3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-N,N-diethylbenzenesulfonamide Traditional Name: 4-chloro-3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-N,N-diethyl-benzenesulfonamide Formula: C20H23ClN2O3S2 MolecularWeight: 438.99122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O3S2/c1-3-22(4-2)28(25,26)15-10-11-17(21)16(14-15)20(24)23-12-7-13-27-19-9-6-5-8-18(19)23/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3