2-nitrobenzoate; 4-oxidanyl-1-[2-(sulfinoamino)ethyl]piperidine

Systemtic Name: 2-nitrobenzoate; 4-oxidanyl-1-[2-(sulfinoamino)ethyl]piperidine Openeye Name: 4-hydroxy-1-[2-(sulfinoamino)ethyl]piperidine; 2-nitrobenzoate CAS Name: 4-hydroxy-1-[2-(sulfinoamino)ethyl]piperidine; 2-nitrobenzoate IUPAC Name: 4-hydroxy-1-[2-(sulfinoamino)ethyl]piperidine; 2-nitrobenzoate Traditional Name: 4-hydroxy-1-[2-(sulfinoamino)ethyl]piperidine; 2-nitrobenzoate Formula: C14H20N3O7S- MolecularWeight: 374.3895

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)CCNS(=O)O.C1=CC=C(C(=C1)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1O)CCNS(=O)O.C1=CC=C(C(=C1)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H16N2O3S.C7H5NO4/c10-7-1-4-9(5-2-7)6-3-8-13(11)12;9-7(10)5-3-1-2-4-6(5)8(11)12/h7-8,10H,1-6H2,(H,11,12);1-4H,(H,9,10)/p-1