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

Systemtic Name: N-methyl-4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-methyl-4-[(1-methylsulfonyl-4-piperidyl)amino]-3-nitro-benzenesulfonamide CAS Name: N-methyl-4-[(1-methylsulfonyl-4-piperidinyl)amino]-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[(1-mesyl-4-piperidyl)amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C13H20N4O6S2 MolecularWeight: 392.4511

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NC2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NC2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O6S2/c1-14-25(22,23)11-3-4-12(13(9-11)17(18)19)15-10-5-7-16(8-6-10)24(2,20)21/h3-4,9-10,14-15H,5-8H2,1-2H3