3-(1H-benzimidazol-2-ylsulfanyl)-N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)propanamide

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanyl)-N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: 3-(1H-benzimidazol-2-ylsulfanyl)-N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)propanamide CAS Name: 3-(1H-benzimidazol-2-ylthio)-N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyl)-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-(1H-benzimidazol-2-ylthio)-N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)propionamide Formula: C20H21ClN4O3S2 MolecularWeight: 464.98874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H21ClN4O3S2/c21-15-8-7-14(30(27,28)25-10-3-4-11-25)13-18(15)22-19(26)9-12-29-20-23-16-5-1-2-6-17(16)24-20/h1-2,5-8,13H,3-4,9-12H2,(H,22,26)(H,23,24)