N,N-diethyl-4-[3-(methylsulfonylaminomethyl)piperidin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[3-(methylsulfonylaminomethyl)piperidin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[3-(methanesulfonamidomethyl)-1-piperidyl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[3-(methanesulfonamidomethyl)-1-piperidinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[3-(methanesulfonamidomethyl)piperidino]-3-nitro-benzenesulfonamide Formula: C17H28N4O6S2 MolecularWeight: 448.55742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O6S2/c1-4-20(5-2)29(26,27)15-8-9-16(17(11-15)21(22)23)19-10-6-7-14(13-19)12-18-28(3,24)25/h8-9,11,14,18H,4-7,10,12-13H2,1-3H3