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

Systemtic Name: methyl 3-[2-[(3-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[3-methoxy-N-(p-tolylsulfonyl)anilino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(3-methoxy-N-tosyl-anilino)acetyl]amino]-4-methyl-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=C(C=CC(=C2)C(=O)OC)C)C3=CC(=CC=C3)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(=CC=C3)OC

InChI

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