methyl 3-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]carbamoylamino]benzoate

Systemtic Name: methyl 3-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]carbamoylamino]benzoate Openeye Name: methyl 3-[[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]carbamoylamino]benzoate CAS Name: 3-[[[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]hydrazo]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]carbamoylamino]benzoate Traditional Name: 3-[[[2-[methyl(tosyl)amino]acetyl]amino]carbamoylamino]benzoic acid methyl ester Formula: C19H22N4O6S MolecularWeight: 434.46618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NNC(=O)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NNC(=O)NC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C19H22N4O6S/c1-13-7-9-16(10-8-13)30(27,28)23(2)12-17(24)21-22-19(26)20-15-6-4-5-14(11-15)18(25)29-3/h4-11H,12H2,1-3H3,(H,21,24)(H2,20,22,26)