N-(3-methyl-1-phenyl-butyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-methyl-1-phenyl-butyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-methyl-1-phenyl-butyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(3-methyl-1-phenylbutyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(3-methyl-1-phenylbutyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(3-methyl-1-phenyl-butyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H29N3O3S2/c1-17(2)14-20(18-8-4-3-5-9-18)24-21(26)16-29-22-11-10-19(15-23-22)30(27,28)25-12-6-7-13-25/h3-5,8-11,15,17,20H,6-7,12-14,16H2,1-2H3,(H,24,26)