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

Systemtic Name: 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Openeye Name: 2-[3-(hydroxymethyl)-1-piperidyl]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide CAS Name: 2-[3-(hydroxymethyl)-1-piperidinyl]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide Traditional Name: N-(2-methoxyphenyl)-2-(3-methylolpiperidino)-5-nitro-benzenesulfonamide Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC(C3)CO

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC(C3)CO

InChI

InChI=1S/C19H23N3O6S/c1-28-18-7-3-2-6-16(18)20-29(26,27)19-11-15(22(24)25)8-9-17(19)21-10-4-5-14(12-21)13-23/h2-3,6-9,11,14,20,23H,4-5,10,12-13H2,1H3