[2-methoxy-3-[[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-oxidanyl-methyl]phenoxy] sulfite

Systemtic Name: [2-methoxy-3-[[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-oxidanyl-methyl]phenoxy] sulfite Openeye Name: [3-[hydroxy-[1-[2-(p-tolyl)ethyl]-4-piperidyl]methyl]-2-methoxy-phenoxy] sulfite CAS Name: [3-[hydroxy-[1-[2-(4-methylphenyl)ethyl]-4-piperidinyl]methyl]-2-methoxyphenoxy] sulfite IUPAC Name: [3-[hydroxy-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-methoxyphenoxy] sulfite Traditional Name: [3-[hydroxy-[1-[2-(p-tolyl)ethyl]-4-piperidyl]methyl]-2-methoxy-phenoxy] sulfite Formula: C22H28NO6S- MolecularWeight: 434.52582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCN2CCC(CC2)C(C3=C(C(=CC=C3)OOS(=O)[O-])OC)O

Isomeric SMILES

CC1=CC=C(C=C1)CCN2CCC(CC2)C(C3=C(C(=CC=C3)OOS(=O)[O-])OC)O

InChI

InChI=1S/C22H29NO6S/c1-16-6-8-17(9-7-16)10-13-23-14-11-18(12-15-23)21(24)19-4-3-5-20(22(19)27-2)28-29-30(25)26/h3-9,18,21,24H,10-15H2,1-2H3,(H,25,26)/p-1