1-azanylnonylcarbamoyl 2-nitrobenzenesulfonate

Systemtic Name: 1-azanylnonylcarbamoyl 2-nitrobenzenesulfonate Openeye Name: 1-aminononylcarbamoyl 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [(1-aminononylamino)-oxomethyl] ester IUPAC Name: 1-aminononylcarbamoyl 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid 1-aminononylcarbamoyl ester Formula: C16H25N3O6S MolecularWeight: 387.4512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(N)NC(=O)OS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC(N)NC(=O)OS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O6S/c1-2-3-4-5-6-7-12-15(17)18-16(20)25-26(23,24)14-11-9-8-10-13(14)19(21)22/h8-11,15H,2-7,12,17H2,1H3,(H,18,20)