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

Systemtic Name: ethyl 3-[2-[(4-methylphenyl)sulfonyl-(4-propan-2-ylphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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