methyl 3-[2-[(2,5-dimethylphenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(2,5-dimethylphenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[N-(benzenesulfonyl)-2,5-dimethyl-anilino]acetyl]amino]benzoate CAS Name: 3-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]benzoate Traditional Name: 3-[[2-(N-besyl-2,5-dimethyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O5S/c1-17-12-13-18(2)22(14-17)26(32(29,30)21-10-5-4-6-11-21)16-23(27)25-20-9-7-8-19(15-20)24(28)31-3/h4-15H,16H2,1-3H3,(H,25,27)