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

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H23N5O8S MolecularWeight: 457.45822

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NC2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NC2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O8S/c1-18-13-7-6-12(8-14(13)22(26)27)31(28,29)19-9-16(24)30-10-15(23)21-17(25)20-11-4-2-3-5-11/h6-8,11,18-19H,2-5,9-10H2,1H3,(H2,20,21,23,25)