2-[2-[(4-methoxyphenyl)methyl]-1-(4-nitrophenyl)sulfonyl-piperidin-3-yl]propan-2-ol

Systemtic Name: 2-[2-[(4-methoxyphenyl)methyl]-1-(4-nitrophenyl)sulfonyl-piperidin-3-yl]propan-2-ol Openeye Name: 2-[2-[(4-methoxyphenyl)methyl]-1-(4-nitrophenyl)sulfonyl-3-piperidyl]propan-2-ol CAS Name: 2-[2-[(4-methoxyphenyl)methyl]-1-(4-nitrophenyl)sulfonyl-3-piperidinyl]-2-propanol IUPAC Name: 2-[2-[(4-methoxyphenyl)methyl]-1-(4-nitrophenyl)sulfonylpiperidin-3-yl]propan-2-ol Traditional Name: 2-(1-nosyl-2-p-anisyl-3-piperidyl)propan-2-ol Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCCN(C1CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C1CCCN(C1CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C22H28N2O6S/c1-22(2,25)20-5-4-14-23(21(20)15-16-6-10-18(30-3)11-7-16)31(28,29)19-12-8-17(9-13-19)24(26)27/h6-13,20-21,25H,4-5,14-15H2,1-3H3