methyl 4-[2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[2-(p-tolylsulfonylamino)acetyl]amino]acetyl]amino]benzoate CAS Name: 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[[2-(tosylamino)acetyl]amino]acetyl]amino]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)NCC(=O)NCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S/c1-13-3-9-16(10-4-13)29(26,27)21-12-17(23)20-11-18(24)22-15-7-5-14(6-8-15)19(25)28-2/h3-10,21H,11-12H2,1-2H3,(H,20,23)(H,22,24)