methyl 4-[[3-[(4-methylphenyl)sulfonylamino]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-[(4-methylphenyl)sulfonylamino]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(p-tolylsulfonylamino)propanoylamino]methyl]benzoate CAS Name: 4-[[[3-[(4-methylphenyl)sulfonylamino]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(4-methylphenyl)sulfonylamino]propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(tosylamino)propanoylamino]methyl]benzoic acid methyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H22N2O5S/c1-14-3-9-17(10-4-14)27(24,25)21-12-11-18(22)20-13-15-5-7-16(8-6-15)19(23)26-2/h3-10,21H,11-13H2,1-2H3,(H,20,22)