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

Systemtic Name: methyl 3-[2-[(4-chloranyl-2-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[4-chloro-2-methyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(4-chloro-2-methyl-N-tosyl-anilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C25H25ClN2O5S MolecularWeight: 500.9944

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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=C(C=C(C=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN2O5S/c1-16-5-10-21(11-6-16)34(31,32)28(23-12-9-20(26)13-18(23)3)15-24(29)27-22-14-19(25(30)33-4)8-7-17(22)2/h5-14H,15H2,1-4H3,(H,27,29)