1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperidine-4-carboxylate

Systemtic Name: 1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperidine-4-carboxylate Openeye Name: 1-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-4-piperidinecarboxylate IUPAC Name: 1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitro-4-piperidinosulfonyl-phenyl)isonipecotate Formula: C17H22N3O6S- MolecularWeight: 396.43808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O6S/c21-17(22)13-6-10-18(11-7-13)15-5-4-14(12-16(15)20(23)24)27(25,26)19-8-2-1-3-9-19/h4-5,12-13H,1-3,6-11H2,(H,21,22)/p-1