N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(1-isobutyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-[[4,5-dimethyl-1-(2-methylpropyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-[(1-isobutyl-4,5-dimethyl-imidazol-2-yl)thio]acetamide Formula: C21H29ClN4O3S2 MolecularWeight: 485.06296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)CC(C)C)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)CC(C)C)C

InChI

InChI=1S/C21H29ClN4O3S2/c1-14(2)12-26-16(4)15(3)23-21(26)30-13-20(27)24-19-11-17(7-8-18(19)22)31(28,29)25-9-5-6-10-25/h7-8,11,14H,5-6,9-10,12-13H2,1-4H3,(H,24,27)