3-cyclohexyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]propanamide

Systemtic Name: 3-cyclohexyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Openeye Name: 3-cyclohexyl-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide CAS Name: 3-cyclohexyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]propanamide IUPAC Name: 3-cyclohexyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Traditional Name: 3-cyclohexyl-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)propionamide Formula: C25H32N2O3S MolecularWeight: 440.59818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CCC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CCC4CCCCC4

InChI

InChI=1S/C25H32N2O3S/c1-19-7-12-24(13-8-19)31(29,30)27-16-15-21-10-11-23(17-22(21)18-27)26-25(28)14-9-20-5-3-2-4-6-20/h7-8,10-13,17,20H,2-6,9,14-16,18H2,1H3,(H,26,28)