methyl 4-[2-[phenethyl(phenylsulfonyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[phenethyl(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[benzenesulfonyl(phenethyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[benzenesulfonyl(phenethyl)amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[benzenesulfonyl(phenethyl)amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[besyl(phenethyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H24N2O5S/c1-31-24(28)20-12-14-21(15-13-20)25-23(27)18-26(17-16-19-8-4-2-5-9-19)32(29,30)22-10-6-3-7-11-22/h2-15H,16-18H2,1H3,(H,25,27)