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

Systemtic Name: ethyl 3-methyl-4-[2-[(4-methylphenyl)sulfonyl-(4-propan-2-ylphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-isopropyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]-3-methyl-benzoate CAS Name: 3-methyl-4-[[2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[[2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-isopropyl-N-tosyl-anilino)acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C28H32N2O5S MolecularWeight: 508.62908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C(C)C)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C(C)C)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C28H32N2O5S/c1-6-35-28(32)23-11-16-26(21(5)17-23)29-27(31)18-30(24-12-9-22(10-13-24)19(2)3)36(33,34)25-14-7-20(4)8-15-25/h7-17,19H,6,18H2,1-5H3,(H,29,31)