N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propyl-benzenesulfonamide

Systemtic Name: N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propyl-benzenesulfonamide Openeye Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propyl-benzenesulfonamide CAS Name: N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-propylbenzenesulfonamide IUPAC Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propylbenzenesulfonamide Traditional Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propyl-benzenesulfonamide Formula: C22H26N2O3S MolecularWeight: 398.51844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2

InChI

InChI=1S/C22H26N2O3S/c1-2-3-16-4-10-21(11-5-16)28(26,27)23-20-9-8-17-12-13-24(15-19(17)14-20)22(25)18-6-7-18/h4-5,8-11,14,18,23H,2-3,6-7,12-13,15H2,1H3