N,N-diethyl-2-[3-(hydroxymethyl)piperidin-1-yl]-5-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-2-[3-(hydroxymethyl)piperidin-1-yl]-5-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-2-[3-(hydroxymethyl)-1-piperidyl]-5-nitro-benzenesulfonamide CAS Name: N,N-diethyl-2-[3-(hydroxymethyl)-1-piperidinyl]-5-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-2-[3-(hydroxymethyl)piperidin-1-yl]-5-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-2-(3-methylolpiperidino)-5-nitro-benzenesulfonamide Formula: C16H25N3O5S MolecularWeight: 371.4518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O5S/c1-3-18(4-2)25(23,24)16-10-14(19(21)22)7-8-15(16)17-9-5-6-13(11-17)12-20/h7-8,10,13,20H,3-6,9,11-12H2,1-2H3