[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]ethanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]ethanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 2-[[2-(p-tolylsulfonylamino)acetyl]amino]acetate CAS Name: 2-[[2-[(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]acetic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate Traditional Name: 2-[[2-(tosylamino)acetyl]amino]acetic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OCC(=O)NC2CC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OCC(=O)NC2CC2

InChI

InChI=1S/C16H21N3O6S/c1-11-2-6-13(7-3-11)26(23,24)18-8-14(20)17-9-16(22)25-10-15(21)19-12-4-5-12/h2-3,6-7,12,18H,4-5,8-10H2,1H3,(H,17,20)(H,19,21)