2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-nitro-benzoic acid

Systemtic Name: 2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-nitro-benzoic acid Openeye Name: 2-[(1-methylsulfonyl-4-piperidyl)amino]-5-nitro-benzoic acid CAS Name: 2-[(1-methylsulfonyl-4-piperidinyl)amino]-5-nitrobenzoic acid IUPAC Name: 2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-nitrobenzoic acid Traditional Name: 2-[(1-mesyl-4-piperidyl)amino]-5-nitro-benzoic acid Formula: C13H17N3O6S MolecularWeight: 343.35558

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

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