2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]sulfinyl-5-ethylsulfonyl-aniline

Systemtic Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]sulfinyl-5-ethylsulfonyl-aniline Openeye Name: 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidyl]sulfinyl]-5-ethylsulfonyl-aniline CAS Name: 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidinyl]sulfinyl]-5-ethylsulfonylaniline IUPAC Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]sulfinyl-5-ethylsulfonylaniline Traditional Name: [5-esyl-2-[(1-homoveratryl-4-piperidyl)sulfinyl]phenyl]amine Formula: C23H32N2O5S2 MolecularWeight: 480.64058

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)S(=O)C2CCN(CC2)CCC3=CC(=C(C=C3)OC)OC)N

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)S(=O)C2CCN(CC2)CCC3=CC(=C(C=C3)OC)OC)N

InChI

InChI=1S/C23H32N2O5S2/c1-4-32(27,28)19-6-8-23(20(24)16-19)31(26)18-10-13-25(14-11-18)12-9-17-5-7-21(29-2)22(15-17)30-3/h5-8,15-16,18H,4,9-14,24H2,1-3H3