1-[3-nitro-4-(4-oxidanylpiperidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-[3-nitro-4-(4-oxidanylpiperidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 1-[4-(4-hydroxy-1-piperidyl)-3-nitro-phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-(4-hydroxy-1-piperidinyl)-3-nitrophenyl]sulfonyl-4-piperidinecarboxylate IUPAC Name: 1-[4-(4-hydroxypiperidin-1-yl)-3-nitrophenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-(4-hydroxypiperidino)-3-nitro-phenyl]sulfonylisonipecotate Formula: C17H22N3O7S- MolecularWeight: 412.43748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)[O-])S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)O)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O7S/c21-13-5-7-18(8-6-13)15-2-1-14(11-16(15)20(24)25)28(26,27)19-9-3-12(4-10-19)17(22)23/h1-2,11-13,21H,3-10H2,(H,22,23)/p-1