1-(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[3-nitro-4-(1-pyrrolidinyl)phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(3-nitro-4-pyrrolidino-phenyl)sulfonylisonipecotic acid Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O6S/c20-16(21)12-5-9-18(10-6-12)26(24,25)13-3-4-14(15(11-13)19(22)23)17-7-1-2-8-17/h3-4,11-12H,1-2,5-10H2,(H,20,21)