N-[[1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)piperidin-3-yl]methyl]methanesulfonamide

Systemtic Name: N-[[1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)piperidin-3-yl]methyl]methanesulfonamide Openeye Name: N-[[1-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)-3-piperidyl]methyl]methanesulfonamide CAS Name: N-[[1-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]-3-piperidinyl]methyl]methanesulfonamide IUPAC Name: N-[[1-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)piperidin-3-yl]methyl]methanesulfonamide Traditional Name: N-[[1-(4-nitro-2-pyrrolidinosulfonyl-phenyl)-3-piperidyl]methyl]methanesulfonamide Formula: C17H26N4O6S2 MolecularWeight: 446.54154

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CS(=O)(=O)NCC1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H26N4O6S2/c1-28(24,25)18-12-14-5-4-8-19(13-14)16-7-6-15(21(22)23)11-17(16)29(26,27)20-9-2-3-10-20/h6-7,11,14,18H,2-5,8-10,12-13H2,1H3