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

Systemtic Name: 2-[2-[(4-methylphenyl)sulfonyl-(4-propan-2-ylphenyl)amino]ethanoylamino]benzoate Openeye Name: 2-[[2-[4-isopropyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 2-[[2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-1-oxoethyl]amino]benzoate IUPAC Name: 2-[[2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetyl]amino]benzoate Traditional Name: 2-[[2-(4-isopropyl-N-tosyl-anilino)acetyl]amino]benzoate Formula: C25H25N2O5S- MolecularWeight: 465.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)[O-])C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)[O-])C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C25H26N2O5S/c1-17(2)19-10-12-20(13-11-19)27(33(31,32)21-14-8-18(3)9-15-21)16-24(28)26-23-7-5-4-6-22(23)25(29)30/h4-15,17H,16H2,1-3H3,(H,26,28)(H,29,30)/p-1