cyclohexylmethyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: cyclohexylmethyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: cyclohexylmethyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid cyclohexylmethyl ester Formula: C16H23N3O6S MolecularWeight: 385.43532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O6S/c1-17-14-8-7-13(9-15(14)19(21)22)26(23,24)18-10-16(20)25-11-12-5-3-2-4-6-12/h7-9,12,17-18H,2-6,10-11H2,1H3