N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-ethyl-2-[(5-piperidinosulfonyl-2-pyridyl)thio]-N-veratryl-acetamide Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H31N3O5S2/c1-4-25(16-18-8-10-20(30-2)21(14-18)31-3)23(27)17-32-22-11-9-19(15-24-22)33(28,29)26-12-6-5-7-13-26/h8-11,14-15H,4-7,12-13,16-17H2,1-3H3