methyl 2-[[(4-methylphenyl)carbonylamino]methyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: methyl 2-[[(4-methylphenyl)carbonylamino]methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: methyl 2-[[(4-methylbenzoyl)amino]methyl-(p-tolylsulfonyl)amino]acetate CAS Name: 2-[[[(4-methylphenyl)-oxomethyl]amino]methyl-(4-methylphenyl)sulfonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[(4-methylbenzoyl)amino]methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[(p-toluoylamino)methyl-tosyl-amino]acetic acid methyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCN(CC(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCN(CC(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H22N2O5S/c1-14-4-8-16(9-5-14)19(23)20-13-21(12-18(22)26-3)27(24,25)17-10-6-15(2)7-11-17/h4-11H,12-13H2,1-3H3,(H,20,23)