N-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-3-yl]methyl]methanesulfonamide

Systemtic Name: N-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-3-yl]methyl]methanesulfonamide Openeye Name: N-[[1-(2-methyl-5-nitro-phenyl)sulfonyl-3-piperidyl]methyl]methanesulfonamide CAS Name: N-[[1-(2-methyl-5-nitrophenyl)sulfonyl-3-piperidinyl]methyl]methanesulfonamide IUPAC Name: N-[[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-3-yl]methyl]methanesulfonamide Traditional Name: N-[[1-(2-methyl-5-nitro-phenyl)sulfonyl-3-piperidyl]methyl]methanesulfonamide Formula: C14H21N3O6S2 MolecularWeight: 391.46304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)CNS(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)CNS(=O)(=O)C

InChI

InChI=1S/C14H21N3O6S2/c1-11-5-6-13(17(18)19)8-14(11)25(22,23)16-7-3-4-12(10-16)9-15-24(2,20)21/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3