3-nitro-4-piperidin-1-yl-5-sulfamoyl-benzoic acid

Systemtic Name: 3-nitro-4-piperidin-1-yl-5-sulfamoyl-benzoic acid Openeye Name: 3-nitro-4-(1-piperidyl)-5-sulfamoyl-benzoic acid CAS Name: 3-nitro-4-(1-piperidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 3-nitro-4-piperidin-1-yl-5-sulfamoylbenzoic acid Traditional Name: 3-nitro-4-piperidino-5-sulfamoyl-benzoic acid Formula: C12H15N3O6S MolecularWeight: 329.329

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O6S/c13-22(20,21)10-7-8(12(16)17)6-9(15(18)19)11(10)14-4-2-1-3-5-14/h6-7H,1-5H2,(H,16,17)(H2,13,20,21)