[(1S)-2-oxidanylidenecyclohexyl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid [(1S)-2-ketocyclohexyl] ester Formula: C15H19N3O7S MolecularWeight: 385.39226

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OC2CCCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)O[C@H]2CCCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O7S/c1-16-11-7-6-10(8-12(11)18(21)22)26(23,24)17-9-15(20)25-14-5-3-2-4-13(14)19/h6-8,14,16-17H,2-5,9H2,1H3/t14-/m0/s1