methyl 3-[2-[(2-methoxy-5-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(2-methoxy-5-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[2-methoxy-5-methyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 3-[[2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(2-methoxy-5-methyl-N-tosyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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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=C(C=CC(=C3)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O6S/c1-17-8-11-21(12-9-17)34(30,31)27(22-14-18(2)10-13-23(22)32-3)16-24(28)26-20-7-5-6-19(15-20)25(29)33-4/h5-15H,16H2,1-4H3,(H,26,28)