1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxylic acid Openeye Name: 1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxylic acid CAS Name: 1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotic acid Formula: C16H21N3O7S MolecularWeight: 399.41884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O7S/c20-16(21)12-3-5-17(6-4-12)14-2-1-13(11-15(14)19(22)23)27(24,25)18-7-9-26-10-8-18/h1-2,11-12H,3-10H2,(H,20,21)