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

Systemtic Name: methyl 3-[2-[(3-chloranyl-2-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[3-chloro-2-methyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 3-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(3-chloro-2-methyl-N-tosyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C24H23ClN2O5S MolecularWeight: 486.96782

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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)Cl)C

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)Cl)C

InChI

InChI=1S/C24H23ClN2O5S/c1-16-10-12-20(13-11-16)33(30,31)27(22-9-5-8-21(25)17(22)2)15-23(28)26-19-7-4-6-18(14-19)24(29)32-3/h4-14H,15H2,1-3H3,(H,26,28)