3-methyl-N-[4-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoyl]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[1-oxo-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetyl]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetyl]phenyl]butyramide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H27N3O4S2/c1-16(2)13-21(27)24-18-7-5-17(6-8-18)20(26)15-30-22-10-9-19(14-23-22)31(28,29)25-11-3-4-12-25/h5-10,14,16H,3-4,11-13,15H2,1-2H3,(H,24,27)