N-[(4-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-[(4-methoxyphenyl)methyl]-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-p-anisyl-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propionamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O4S2/c1-16(21(25)23-14-17-6-8-18(28-2)9-7-17)29-20-11-10-19(15-22-20)30(26,27)24-12-4-3-5-13-24/h6-11,15-16H,3-5,12-14H2,1-2H3,(H,23,25)