2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)acetamide Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H24N4O4S2/c1-2-29-18-10-9-15(13-19(18)31(27,28)25-11-5-6-12-25)22-20(26)14-30-21-23-16-7-3-4-8-17(16)24-21/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,22,26)(H,23,24)