N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(phenylsulfonyl)quinolin-4-amine

Systemtic Name: N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(phenylsulfonyl)quinolin-4-amine Openeye Name: 3-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-quinolin-4-amine CAS Name: 3-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-4-quinolinamine IUPAC Name: 3-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinolin-4-amine Traditional Name: (3-besyl-6,7-dimethoxy-4-quinolyl)-(4-fluorobenzyl)amine Formula: C24H21FN2O4S MolecularWeight: 452.497943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)S(=O)(=O)C3=CC=CC=C3)NCC4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)S(=O)(=O)C3=CC=CC=C3)NCC4=CC=C(C=C4)F)OC

InChI

InChI=1S/C24H21FN2O4S/c1-30-21-12-19-20(13-22(21)31-2)26-15-23(32(28,29)18-6-4-3-5-7-18)24(19)27-14-16-8-10-17(25)11-9-16/h3-13,15H,14H2,1-2H3,(H,26,27)