[1-[(4-nitrophenyl)methylsulfonyl]piperidin-3-yl]methanol

Systemtic Name: [1-[(4-nitrophenyl)methylsulfonyl]piperidin-3-yl]methanol Openeye Name: [1-[(4-nitrophenyl)methylsulfonyl]-3-piperidyl]methanol CAS Name: [1-[(4-nitrophenyl)methylsulfonyl]-3-piperidinyl]methanol IUPAC Name: [1-[(4-nitrophenyl)methylsulfonyl]piperidin-3-yl]methanol Traditional Name: [1-(4-nitrobenzyl)sulfonyl-3-piperidyl]methanol Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-])CO

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-])CO

InChI

InChI=1S/C13H18N2O5S/c16-9-12-2-1-7-14(8-12)21(19,20)10-11-3-5-13(6-4-11)15(17)18/h3-6,12,16H,1-2,7-10H2