N-butyl-4-chloranyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: N-butyl-4-chloranyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-butyl-4-chloro-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: N-butyl-4-chloro-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide IUPAC Name: N-butyl-4-chloro-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-butyl-4-chloro-N-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O3S/c1-3-4-14-24(29(27,28)20-11-9-19(23)10-12-20)16-22(26)25-15-13-18-7-5-6-8-21(18)17(25)2/h5-12,17H,3-4,13-16H2,1-2H3