(3R)-1-(4-chlorophenyl)carbonyl-3-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-azepan-2-one

Systemtic Name: (3R)-1-(4-chlorophenyl)carbonyl-3-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-azepan-2-one Openeye Name: (3R)-1-(4-chlorobenzoyl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]azepan-2-one CAS Name: (3R)-1-[(4-chlorophenyl)-oxomethyl]-3-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]-2-azepanone IUPAC Name: (3R)-1-(4-chlorobenzoyl)-3-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylazepan-2-one Traditional Name: (3R)-1-(4-chlorobenzoyl)-3-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]azepan-2-one Formula: C22H24ClN3O4S2 MolecularWeight: 494.02666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C(=O)[C@@H](C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O4S2/c23-17-8-6-16(7-9-17)21(27)26-14-2-1-5-19(22(26)28)31-20-11-10-18(15-24-20)32(29,30)25-12-3-4-13-25/h6-11,15,19H,1-5,12-14H2/t19-/m1/s1