N,N-diethyl-3-nitro-4-[3-(4-oxidanylpiperidin-1-yl)propylamino]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[3-(4-oxidanylpiperidin-1-yl)propylamino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[3-(4-hydroxy-1-piperidyl)propylamino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[3-(4-hydroxy-1-piperidinyl)propylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[3-(4-hydroxypiperidin-1-yl)propylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[3-(4-hydroxypiperidino)propylamino]-3-nitro-benzenesulfonamide Formula: C18H30N4O5S MolecularWeight: 414.5196

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCCN2CCC(CC2)O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCCN2CCC(CC2)O)[N+](=O)[O-]

InChI

InChI=1S/C18H30N4O5S/c1-3-21(4-2)28(26,27)16-6-7-17(18(14-16)22(24)25)19-10-5-11-20-12-8-15(23)9-13-20/h6-7,14-15,19,23H,3-5,8-13H2,1-2H3