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

Systemtic Name: 1-(4-morpholin-4-yl-3-nitro-phenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(4-morpholino-3-nitro-phenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[4-(4-morpholinyl)-3-nitrophenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(4-morpholin-4-yl-3-nitrophenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(4-morpholino-3-nitro-phenyl)sulfonylisonipecotic acid Formula: C16H21N3O7S MolecularWeight: 399.41884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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