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

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-acetamidopropanoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CCNC(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CCNC(=O)C)C

InChI

InChI=1S/C20H24N2O5S/c1-14-5-10-19(13-15(14)2)28(25,26)22(4)17-6-8-18(9-7-17)27-20(24)11-12-21-16(3)23/h5-10,13H,11-12H2,1-4H3,(H,21,23)