N-(2-methoxyphenyl)-5-nitro-2-(3-oxidanylpiperidin-1-yl)benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-5-nitro-2-(3-oxidanylpiperidin-1-yl)benzenesulfonamide Openeye Name: 2-(3-hydroxy-1-piperidyl)-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide CAS Name: 2-(3-hydroxy-1-piperidinyl)-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-(3-hydroxypiperidin-1-yl)-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide Traditional Name: 2-(3-hydroxypiperidino)-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c1-27-17-7-3-2-6-15(17)19-28(25,26)18-11-13(21(23)24)8-9-16(18)20-10-4-5-14(22)12-20/h2-3,6-9,11,14,19,22H,4-5,10,12H2,1H3