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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-methyl-benzenesulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-methyl-benzenesulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-methylbenzenesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-methylbenzenesulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-methyl-benzenesulfonamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H31N3O2S/c1-20-7-6-10-25(17-20)32(30,31)27-18-26(22-11-13-24(14-12-22)28(2)3)29-16-15-21-8-4-5-9-23(21)19-29/h4-14,17,26-27H,15-16,18-19H2,1-3H3