N-(3,4-dimethoxyphenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propionamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O5S2/c1-15(21(25)23-16-7-9-18(28-2)19(13-16)29-3)30-20-10-8-17(14-22-20)31(26,27)24-11-5-4-6-12-24/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,23,25)