4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[(1-methylsulfonyl-4-piperidyl)amino]-3-nitro-benzenesulfonamide CAS Name: 4-[(1-methylsulfonyl-4-piperidinyl)amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[(1-mesyl-4-piperidyl)amino]-3-nitro-benzenesulfonamide Formula: C12H18N4O6S2 MolecularWeight: 378.42452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O6S2/c1-23(19,20)15-6-4-9(5-7-15)14-11-3-2-10(24(13,21)22)8-12(11)16(17)18/h2-3,8-9,14H,4-7H2,1H3,(H2,13,21,22)