[3-methoxy-4-[4-[[(2-methoxyphenyl)amino]methyl]-2,2-dimethyl-1H-quinolin-6-yl]phenyl] cyclopentanesulfonate

Systemtic Name: [3-methoxy-4-[4-[[(2-methoxyphenyl)amino]methyl]-2,2-dimethyl-1H-quinolin-6-yl]phenyl] cyclopentanesulfonate Openeye Name: [3-methoxy-4-[4-[(2-methoxyanilino)methyl]-2,2-dimethyl-1H-quinolin-6-yl]phenyl] cyclopentanesulfonate CAS Name: cyclopentanesulfonic acid [3-methoxy-4-[4-[(2-methoxyanilino)methyl]-2,2-dimethyl-1H-quinolin-6-yl]phenyl] ester IUPAC Name: [3-methoxy-4-[4-[(2-methoxyanilino)methyl]-2,2-dimethyl-1H-quinolin-6-yl]phenyl] cyclopentanesulfonate Traditional Name: cyclopentanesulfonic acid [4-[2,2-dimethyl-4-(o-anisidinomethyl)-1H-quinolin-6-yl]-3-methoxy-phenyl] ester Formula: C31H36N2O5S MolecularWeight: 548.69294

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(N1)C=CC(=C2)C3=C(C=C(C=C3)OS(=O)(=O)C4CCCC4)OC)CNC5=CC=CC=C5OC)C

Isomeric SMILES

CC1(C=C(C2=C(N1)C=CC(=C2)C3=C(C=C(C=C3)OS(=O)(=O)C4CCCC4)OC)CNC5=CC=CC=C5OC)C

InChI

InChI=1S/C31H36N2O5S/c1-31(2)19-22(20-32-28-11-7-8-12-29(28)36-3)26-17-21(13-16-27(26)33-31)25-15-14-23(18-30(25)37-4)38-39(34,35)24-9-5-6-10-24/h7-8,11-19,24,32-33H,5-6,9-10,20H2,1-4H3