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

Systemtic Name: 2-[4-cyano-2-(2-oxidanylideneimidazolidin-1-yl)sulfonyl-phenyl]sulfanyl-N-(2-piperidin-1-ylethyl)butanamide hydrochloride Openeye Name: 2-[4-cyano-2-(2-oxoimidazolidin-1-yl)sulfonyl-phenyl]sulfanyl-N-[2-(1-piperidyl)ethyl]butanamide hydrochloride CAS Name: 2-[[4-cyano-2-[(2-oxo-1-imidazolidinyl)sulfonyl]phenyl]thio]-N-[2-(1-piperidinyl)ethyl]butanamide hydrochloride IUPAC Name: 2-[4-cyano-2-(2-oxoimidazolidin-1-yl)sulfonylphenyl]sulfanyl-N-(2-piperidin-1-ylethyl)butanamide hydrochloride Traditional Name: 2-[[4-cyano-2-(2-ketoimidazolidin-1-yl)sulfonyl-phenyl]thio]-N-(2-piperidinoethyl)butyramide hydrochloride Formula: C21H30ClN5O4S2 MolecularWeight: 516.077

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCN1CCCCC1)SC2=C(C=C(C=C2)C#N)S(=O)(=O)N3CCNC3=O.Cl

Isomeric SMILES

CCC(C(=O)NCCN1CCCCC1)SC2=C(C=C(C=C2)C#N)S(=O)(=O)N3CCNC3=O.Cl

InChI

InChI=1S/C21H29N5O4S2.ClH/c1-2-17(20(27)23-8-12-25-10-4-3-5-11-25)31-18-7-6-16(15-22)14-19(18)32(29,30)26-13-9-24-21(26)28;/h6-7,14,17H,2-5,8-13H2,1H3,(H,23,27)(H,24,28);1H