N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-[(1-ethyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-[(1-ethylbenzimidazol-2-yl)thio]acetamide Formula: C21H23ClN4O3S2 MolecularWeight: 479.01532

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C21H23ClN4O3S2/c1-2-26-19-8-4-3-7-17(19)24-21(26)30-14-20(27)23-18-13-15(9-10-16(18)22)31(28,29)25-11-5-6-12-25/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,23,27)