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

Systemtic Name: methyl 4-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]carbamoyl]benzoate CAS Name: 4-[[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]carbamoyl]benzoate Traditional Name: 4-[[[2-[methyl(tosyl)amino]acetyl]amino]carbamoyl]benzoic acid methyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NNC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NNC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H21N3O6S/c1-13-4-10-16(11-5-13)29(26,27)22(2)12-17(23)20-21-18(24)14-6-8-15(9-7-14)19(25)28-3/h4-11H,12H2,1-3H3,(H,20,23)(H,21,24)