methyl 4-[[(4-methylphenyl)sulfonyl-quinolin-8-yl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-methylphenyl)sulfonyl-quinolin-8-yl-amino]methyl]benzoate Openeye Name: methyl 4-[[p-tolylsulfonyl(8-quinolyl)amino]methyl]benzoate CAS Name: 4-[[(4-methylphenyl)sulfonyl-(8-quinolinyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-methylphenyl)sulfonyl-quinolin-8-ylamino]methyl]benzoate Traditional Name: 4-[[8-quinolyl(tosyl)amino]methyl]benzoic acid methyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)OC)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)OC)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C25H22N2O4S/c1-18-8-14-22(15-9-18)32(29,30)27(17-19-10-12-21(13-11-19)25(28)31-2)23-7-3-5-20-6-4-16-26-24(20)23/h3-16H,17H2,1-2H3