N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-methyl-benzenesulfonamide

Systemtic Name: N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-methyl-benzenesulfonamide Openeye Name: N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-methyl-benzenesulfonamide CAS Name: N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-methylbenzenesulfonamide IUPAC Name: N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-methylbenzenesulfonamide Traditional Name: N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-methyl-benzenesulfonamide Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NCCCCN2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NCCCCN2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C22H30N2O4S/c1-17-7-6-8-20(13-17)29(25,26)23-10-4-5-11-24-12-9-18-14-21(27-2)22(28-3)15-19(18)16-24/h6-8,13-15,23H,4-5,9-12,16H2,1-3H3