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

Systemtic Name: methyl 4-[[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(2-methyl-N-methylsulfonyl-anilino)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(2-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(N-mesyl-2-methyl-anilino)acetyl]amino]methyl]benzoic acid methyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)NCC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)NCC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C

InChI

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