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

Systemtic Name: methyl 3-[2-[(4-methylphenyl)sulfonyl-(4-propan-2-ylphenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[4-isopropyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 3-[[2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-isopropyl-N-tosyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O5S/c1-18(2)20-10-12-23(13-11-20)28(34(31,32)24-14-8-19(3)9-15-24)17-25(29)27-22-7-5-6-21(16-22)26(30)33-4/h5-16,18H,17H2,1-4H3,(H,27,29)