N-[cyclopropyl-(4-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[cyclopropyl-(4-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[cyclopropyl(p-tolyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[cyclopropyl-(4-methylphenyl)methyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[cyclopropyl-(4-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[cyclopropyl(p-tolyl)methyl]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2CC2)NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2CC2)NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H27N3O3S2/c1-16-4-6-17(7-5-16)22(18-8-9-18)24-20(26)15-29-21-11-10-19(14-23-21)30(27,28)25-12-2-3-13-25/h4-7,10-11,14,18,22H,2-3,8-9,12-13,15H2,1H3,(H,24,26)