2-[4-cyano-2-(2-oxidanylideneimidazolidin-1-yl)sulfonyl-phenyl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)butanamide hydrochloride

Systemtic Name: 2-[4-cyano-2-(2-oxidanylideneimidazolidin-1-yl)sulfonyl-phenyl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)butanamide hydrochloride Openeye Name: 2-[4-cyano-2-(2-oxoimidazolidin-1-yl)sulfonyl-phenyl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)butanamide hydrochloride CAS Name: 2-[[4-cyano-2-[(2-oxo-1-imidazolidinyl)sulfonyl]phenyl]thio]-N-[2-(1-pyrrolidinyl)ethyl]butanamide hydrochloride IUPAC Name: 2-[4-cyano-2-(2-oxoimidazolidin-1-yl)sulfonylphenyl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)butanamide hydrochloride Traditional Name: 2-[[4-cyano-2-(2-ketoimidazolidin-1-yl)sulfonyl-phenyl]thio]-N-(2-pyrrolidinoethyl)butyramide hydrochloride Formula: C20H28ClN5O4S2 MolecularWeight: 502.05042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCN1CCCC1)SC2=C(C=C(C=C2)C#N)S(=O)(=O)N3CCNC3=O.Cl

Isomeric SMILES

CCC(C(=O)NCCN1CCCC1)SC2=C(C=C(C=C2)C#N)S(=O)(=O)N3CCNC3=O.Cl

InChI

InChI=1S/C20H27N5O4S2.ClH/c1-2-16(19(26)22-7-11-24-9-3-4-10-24)30-17-6-5-15(14-21)13-18(17)31(28,29)25-12-8-23-20(25)27;/h5-6,13,16H,2-4,7-12H2,1H3,(H,22,26)(H,23,27);1H