3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N,N-diethyl-4-pyrrolidin-1-yl-benzenesulfonamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N,N-diethyl-4-pyrrolidin-1-yl-benzenesulfonamide Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-4-pyrrolidin-1-yl-benzenesulfonamide CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-N,N-diethyl-4-(1-pyrrolidinyl)benzenesulfonamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-4-pyrrolidino-benzenesulfonamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H31N3O3S/c1-3-27(4-2)31(29,30)21-11-12-23(25-14-7-8-15-25)22(17-21)24(28)26-16-13-19-9-5-6-10-20(19)18-26/h5-6,9-12,17H,3-4,7-8,13-16,18H2,1-2H3