3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(furan-2-ylmethyl)-4-methyl-benzenesulfonamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(furan-2-ylmethyl)-4-methyl-benzenesulfonamide Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-furylmethyl)-4-methyl-benzenesulfonamide CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-N-(2-furanylmethyl)-4-methylbenzenesulfonamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-furfuryl)-4-methyl-benzenesulfonamide Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H22N2O4S/c1-16-8-9-20(29(26,27)23-14-19-7-4-12-28-19)13-21(16)22(25)24-11-10-17-5-2-3-6-18(17)15-24/h2-9,12-13,23H,10-11,14-15H2,1H3