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

Systemtic Name: methyl 3-[2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[3,4-dimethoxy-N-(p-tolylsulfonyl)anilino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(3,4-dimethoxy-N-tosyl-anilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C26H28N2O7S MolecularWeight: 512.57472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O7S/c1-17-6-11-21(12-7-17)36(31,32)28(20-10-13-23(33-3)24(15-20)34-4)16-25(29)27-22-14-19(26(30)35-5)9-8-18(22)2/h6-15H,16H2,1-5H3,(H,27,29)