methyl 3-[2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[3,4-dimethoxy-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 3-[[2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(3,4-dimethoxy-N-tosyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O7S/c1-17-8-11-21(12-9-17)35(30,31)27(20-10-13-22(32-2)23(15-20)33-3)16-24(28)26-19-7-5-6-18(14-19)25(29)34-4/h5-15H,16H2,1-4H3,(H,26,28)