N-(2-methoxyphenyl)-5-nitro-2-(4-oxidanylpiperidin-1-yl)benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-5-nitro-2-(4-oxidanylpiperidin-1-yl)benzenesulfonamide Openeye Name: 2-(4-hydroxy-1-piperidyl)-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide CAS Name: 2-(4-hydroxy-1-piperidinyl)-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide Traditional Name: 2-(4-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-])N3CCC(CC3)O

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)O

InChI

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