5-[4-(methylsulfonylamino)piperidin-1-yl]-2-nitro-benzoic acid

Systemtic Name: 5-[4-(methylsulfonylamino)piperidin-1-yl]-2-nitro-benzoic acid Openeye Name: 5-[4-(methanesulfonamido)-1-piperidyl]-2-nitro-benzoic acid CAS Name: 5-[4-(methanesulfonamido)-1-piperidinyl]-2-nitrobenzoic acid IUPAC Name: 5-[4-(methanesulfonamido)piperidin-1-yl]-2-nitrobenzoic acid Traditional Name: 5-[4-(methanesulfonamido)piperidino]-2-nitro-benzoic acid Formula: C13H17N3O6S MolecularWeight: 343.35558

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CS(=O)(=O)NC1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H17N3O6S/c1-23(21,22)14-9-4-6-15(7-5-9)10-2-3-12(16(19)20)11(8-10)13(17)18/h2-3,8-9,14H,4-7H2,1H3,(H,17,18)