[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-(4-cyanophenoxy)ethanoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-(4-cyanophenoxy)ethanoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-(4-cyanophenoxy)acetate CAS Name: 2-(4-cyanophenoxy)acetic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 2-(4-cyanophenoxy)acetate Traditional Name: 2-(4-cyanophenoxy)acetic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C24H22N2O5S MolecularWeight: 450.50688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)COC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)COC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C24H22N2O5S/c1-17-4-13-23(14-18(17)2)32(28,29)26(3)20-7-11-22(12-8-20)31-24(27)16-30-21-9-5-19(15-25)6-10-21/h4-14H,16H2,1-3H3