3-[(2,4-dimethylphenyl)sulfonyl-(4-methoxyphenyl)amino]propanoate

Systemtic Name: 3-[(2,4-dimethylphenyl)sulfonyl-(4-methoxyphenyl)amino]propanoate Openeye Name: 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxy-anilino)propanoate CAS Name: 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanoate IUPAC Name: 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanoate Traditional Name: 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxy-anilino)propionate Formula: C18H20NO5S- MolecularWeight: 362.4201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N(CCC(=O)[O-])C2=CC=C(C=C2)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N(CCC(=O)[O-])C2=CC=C(C=C2)OC)C

InChI

InChI=1S/C18H21NO5S/c1-13-4-9-17(14(2)12-13)25(22,23)19(11-10-18(20)21)15-5-7-16(24-3)8-6-15/h4-9,12H,10-11H2,1-3H3,(H,20,21)/p-1