[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-2-yl]methanol

Systemtic Name: [1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-2-yl]methanol Openeye Name: [1-(2-methyl-5-nitro-phenyl)sulfonyl-2-piperidyl]methanol CAS Name: [1-(2-methyl-5-nitrophenyl)sulfonyl-2-piperidinyl]methanol IUPAC Name: [1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-2-yl]methanol Traditional Name: [1-(2-methyl-5-nitro-phenyl)sulfonyl-2-piperidyl]methanol Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCCC2CO

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCCC2CO

InChI

InChI=1S/C13H18N2O5S/c1-10-5-6-11(15(17)18)8-13(10)21(19,20)14-7-3-2-4-12(14)9-16/h5-6,8,12,16H,2-4,7,9H2,1H3