[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H22N4O8S2 MolecularWeight: 474.50858

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NC2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NC2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O8S2/c1-30-14-7-6-12(8-13(14)21(25)26)31(27,28)18-9-16(23)29-10-15(22)20-17(24)19-11-4-2-3-5-11/h6-8,11,18H,2-5,9-10H2,1H3,(H2,19,20,22,24)