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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

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