[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Openeye Name: [2-(cyclopropylcarbamoylamino)-2-oxo-ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propanoic acid [2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propionic acid [2-(cyclopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)NC2CC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)NC2CC2

InChI

InChI=1S/C17H23N3O6S/c1-11-3-4-12(2)14(9-11)27(24,25)18-8-7-16(22)26-10-15(21)20-17(23)19-13-5-6-13/h3-4,9,13,18H,5-8,10H2,1-2H3,(H2,19,20,21,23)