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

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: 2-(1-allylbenzimidazol-2-yl)sulfanyl-N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: 2-[(1-allylbenzimidazol-2-yl)thio]-N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)acetamide Formula: C22H23ClN4O3S2 MolecularWeight: 491.02602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O3S2/c1-2-11-27-20-8-4-3-7-18(20)25-22(27)31-15-21(28)24-19-14-16(9-10-17(19)23)32(29,30)26-12-5-6-13-26/h2-4,7-10,14H,1,5-6,11-13,15H2,(H,24,28)