N-(3-nitrophenyl)-N-(2-oxidanyl-3-piperidin-1-yl-propyl)benzenesulfonamide

Systemtic Name: N-(3-nitrophenyl)-N-(2-oxidanyl-3-piperidin-1-yl-propyl)benzenesulfonamide Openeye Name: N-[2-hydroxy-3-(1-piperidyl)propyl]-N-(3-nitrophenyl)benzenesulfonamide CAS Name: N-[2-hydroxy-3-(1-piperidinyl)propyl]-N-(3-nitrophenyl)benzenesulfonamide IUPAC Name: N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(3-nitrophenyl)benzenesulfonamide Traditional Name: N-(2-hydroxy-3-piperidino-propyl)-N-(3-nitrophenyl)benzenesulfonamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)O

Isomeric SMILES

C1CCN(CC1)CC(CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C20H25N3O5S/c24-19(15-21-12-5-2-6-13-21)16-22(17-8-7-9-18(14-17)23(25)26)29(27,28)20-10-3-1-4-11-20/h1,3-4,7-11,14,19,24H,2,5-6,12-13,15-16H2