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

Systemtic Name: methyl 4-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]-4-methyl-benzoate CAS Name: 4-methyl-3-[[2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-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]-4-methyl-benzoic acid methyl ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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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)C(C)C

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)C(C)C

InChI

InChI=1S/C27H30N2O5S/c1-18(2)21-10-12-23(13-11-21)29(35(32,33)24-14-6-19(3)7-15-24)17-26(30)28-25-16-22(27(31)34-5)9-8-20(25)4/h6-16,18H,17H2,1-5H3,(H,28,30)