methyl 3-[2-[(3,4-dimethylphenyl)-(phenylsulfonyl)amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(3,4-dimethylphenyl)-(phenylsulfonyl)amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[N-(benzenesulfonyl)-3,4-dimethyl-anilino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[N-(benzenesulfonyl)-3,4-dimethylanilino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(N-besyl-3,4-dimethyl-anilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C25H26N2O5S/c1-17-11-13-21(14-19(17)3)27(33(30,31)22-8-6-5-7-9-22)16-24(28)26-23-15-20(25(29)32-4)12-10-18(23)2/h5-15H,16H2,1-4H3,(H,26,28)