N-[(1R)-3-methyl-1-phenyl-butyl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[(1R)-3-methyl-1-phenylbutyl]-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[(1R)-3-methyl-1-phenylbutyl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-[(5-morpholinosulfonyl-2-pyridyl)thio]acetamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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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)N3CCOCC3

Isomeric SMILES

CC(C)C[C@H](C1=CC=CC=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H29N3O4S2/c1-17(2)14-20(18-6-4-3-5-7-18)24-21(26)16-30-22-9-8-19(15-23-22)31(27,28)25-10-12-29-13-11-25/h3-9,15,17,20H,10-14,16H2,1-2H3,(H,24,26)/t20-/m1/s1