[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(4-methylphenyl)propanoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(4-methylphenyl)propanoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(p-tolyl)propanoate CAS Name: 3-(4-methylphenyl)propanoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 3-(4-methylphenyl)propanoate Traditional Name: 3-(p-tolyl)propionic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C25H27NO4S/c1-18-5-8-21(9-6-18)10-16-25(27)30-23-13-11-22(12-14-23)26(4)31(28,29)24-15-7-19(2)20(3)17-24/h5-9,11-15,17H,10,16H2,1-4H3