[1-[(4-nitrophenyl)methylsulfonyl]piperidin-2-yl]methanol

Systemtic Name: [1-[(4-nitrophenyl)methylsulfonyl]piperidin-2-yl]methanol Openeye Name: [1-[(4-nitrophenyl)methylsulfonyl]-2-piperidyl]methanol CAS Name: [1-[(4-nitrophenyl)methylsulfonyl]-2-piperidinyl]methanol IUPAC Name: [1-[(4-nitrophenyl)methylsulfonyl]piperidin-2-yl]methanol Traditional Name: [1-(4-nitrobenzyl)sulfonyl-2-piperidyl]methanol Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(C1)CO)S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O5S/c16-9-13-3-1-2-8-14(13)21(19,20)10-11-4-6-12(7-5-11)15(17)18/h4-7,13,16H,1-3,8-10H2