1-azanyldecylcarbamoyl 2-nitrobenzenesulfonate

Systemtic Name: 1-azanyldecylcarbamoyl 2-nitrobenzenesulfonate Openeye Name: 1-aminodecylcarbamoyl 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [(1-aminodecylamino)-oxomethyl] ester IUPAC Name: 1-aminodecylcarbamoyl 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid 1-aminodecylcarbamoyl ester Formula: C17H27N3O6S MolecularWeight: 401.47778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O6S/c1-2-3-4-5-6-7-8-13-16(18)19-17(21)26-27(24,25)15-12-10-9-11-14(15)20(22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,21)