1-azanylhexylcarbamoyl 2-nitrobenzenesulfonate

Systemtic Name: 1-azanylhexylcarbamoyl 2-nitrobenzenesulfonate Openeye Name: 1-aminohexylcarbamoyl 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [(1-aminohexylamino)-oxomethyl] ester IUPAC Name: 1-aminohexylcarbamoyl 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid 1-aminohexylcarbamoyl ester Formula: C13H19N3O6S MolecularWeight: 345.37146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O6S/c1-2-3-4-9-12(14)15-13(17)22-23(20,21)11-8-6-5-7-10(11)16(18)19/h5-8,12H,2-4,9,14H2,1H3,(H,15,17)