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

Systemtic Name: methyl 4-[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[benzyl(p-tolylsulfonyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[benzyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[benzyl(tosyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H24N2O5S/c1-18-8-14-22(15-9-18)32(29,30)26(16-19-6-4-3-5-7-19)17-23(27)25-21-12-10-20(11-13-21)24(28)31-2/h3-15H,16-17H2,1-2H3,(H,25,27)