methyl 2-[(3,5-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: methyl 2-[(3,5-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: methyl 2-[3,5-dimethyl-N-(p-tolylsulfonyl)anilino]acetate CAS Name: 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetic acid methyl ester IUPAC Name: methyl 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate Traditional Name: 2-(3,5-dimethyl-N-tosyl-anilino)acetic acid methyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4S/c1-13-5-7-17(8-6-13)24(21,22)19(12-18(20)23-4)16-10-14(2)9-15(3)11-16/h5-11H,12H2,1-4H3