[(3R)-1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperidin-3-yl]methanol

Systemtic Name: [(3R)-1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperidin-3-yl]methanol Openeye Name: [(3R)-1-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]-3-piperidyl]methanol CAS Name: [(3R)-1-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-3-piperidinyl]methanol IUPAC Name: [(3R)-1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperidin-3-yl]methanol Traditional Name: [(3R)-1-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]-3-piperidyl]methanol Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)CO)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC[C@H](C3)CO)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O5S/c1-14-6-9-20(10-7-14)27(25,26)16-4-5-17(18(11-16)21(23)24)19-8-2-3-15(12-19)13-22/h4-5,11,14-15,22H,2-3,6-10,12-13H2,1H3/t15-/m1/s1