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

Systemtic Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]sulfanyl-5-methylsulfonyl-aniline Openeye Name: 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidyl]sulfanyl]-5-methylsulfonyl-aniline CAS Name: 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidinyl]thio]-5-methylsulfonylaniline IUPAC Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]sulfanyl-5-methylsulfonylaniline Traditional Name: [2-[(1-homoveratryl-4-piperidyl)thio]-5-mesyl-phenyl]amine Formula: C22H30N2O4S2 MolecularWeight: 450.6146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CCC(CC2)SC3=C(C=C(C=C3)S(=O)(=O)C)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CCC(CC2)SC3=C(C=C(C=C3)S(=O)(=O)C)N)OC

InChI

InChI=1S/C22H30N2O4S2/c1-27-20-6-4-16(14-21(20)28-2)8-11-24-12-9-17(10-13-24)29-22-7-5-18(15-19(22)23)30(3,25)26/h4-7,14-15,17H,8-13,23H2,1-3H3