N-ethyl-4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: N-ethyl-4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: N-ethyl-4-[3-(hydroxymethyl)-1-piperidyl]-3-nitro-N-phenyl-benzenesulfonamide CAS Name: N-ethyl-4-[3-(hydroxymethyl)-1-piperidinyl]-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: N-ethyl-4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitro-N-phenylbenzenesulfonamide Traditional Name: N-ethyl-4-(3-methylolpiperidino)-3-nitro-N-phenyl-benzenesulfonamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)CO)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)CO)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-2-22(17-8-4-3-5-9-17)29(27,28)18-10-11-19(20(13-18)23(25)26)21-12-6-7-16(14-21)15-24/h3-5,8-11,13,16,24H,2,6-7,12,14-15H2,1H3