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

Systemtic Name: methyl 4-[2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[p-tolylmethyl(p-tolylsulfonyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-methylbenzyl)-tosyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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