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

Systemtic Name: N-butyl-4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]amino]-N-methyl-benzenesulfonamide Openeye Name: N-butyl-4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]amino]-N-methyl-benzenesulfonamide CAS Name: N-butyl-4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N-methylbenzenesulfonamide IUPAC Name: N-butyl-4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N-methylbenzenesulfonamide Traditional Name: N-butyl-4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]amino]-N-methyl-benzenesulfonamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H29N3O3S/c1-3-4-14-24(2)29(27,28)21-11-9-20(10-12-21)23-16-22(26)25-15-13-18-7-5-6-8-19(18)17-25/h5-12,23H,3-4,13-17H2,1-2H3