1-azanylheptylcarbamoyl 2-nitrobenzenesulfonate

Systemtic Name: 1-azanylheptylcarbamoyl 2-nitrobenzenesulfonate Openeye Name: 1-aminoheptylcarbamoyl 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [(1-aminoheptylamino)-oxomethyl] ester IUPAC Name: 1-aminoheptylcarbamoyl 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid 1-aminoheptylcarbamoyl ester Formula: C14H21N3O6S MolecularWeight: 359.39804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O6S/c1-2-3-4-5-10-13(15)16-14(18)23-24(21,22)12-9-7-6-8-11(12)17(19)20/h6-9,13H,2-5,10,15H2,1H3,(H,16,18)