1-azanyloctylcarbamoyl 2-nitrobenzenesulfonate

Systemtic Name: 1-azanyloctylcarbamoyl 2-nitrobenzenesulfonate Openeye Name: 1-aminooctylcarbamoyl 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [(1-aminooctylamino)-oxomethyl] ester IUPAC Name: 1-aminooctylcarbamoyl 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid 1-aminooctylcarbamoyl ester Formula: C15H23N3O6S MolecularWeight: 373.42462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O6S/c1-2-3-4-5-6-11-14(16)17-15(19)24-25(22,23)13-10-8-7-9-12(13)18(20)21/h7-10,14H,2-6,11,16H2,1H3,(H,17,19)