2-[1-(4-acetamido-3-chloranyl-phenyl)sulfonylbenzimidazol-2-yl]sulfanyl-N-butyl-ethanamide

Systemtic Name: 2-[1-(4-acetamido-3-chloranyl-phenyl)sulfonylbenzimidazol-2-yl]sulfanyl-N-butyl-ethanamide Openeye Name: 2-[1-(4-acetamido-3-chloro-phenyl)sulfonylbenzimidazol-2-yl]sulfanyl-N-butyl-acetamide CAS Name: 2-[[1-(4-acetamido-3-chlorophenyl)sulfonyl-2-benzimidazolyl]thio]-N-butylacetamide IUPAC Name: 2-[1-(4-acetamido-3-chlorophenyl)sulfonylbenzimidazol-2-yl]sulfanyl-N-butylacetamide Traditional Name: 2-[[1-(4-acetamido-3-chloro-phenyl)sulfonylbenzimidazol-2-yl]thio]-N-butyl-acetamide Formula: C21H23ClN4O4S2 MolecularWeight: 495.01472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC(=C(C=C3)NC(=O)C)Cl

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC(=C(C=C3)NC(=O)C)Cl

InChI

InChI=1S/C21H23ClN4O4S2/c1-3-4-11-23-20(28)13-31-21-25-18-7-5-6-8-19(18)26(21)32(29,30)15-9-10-17(16(22)12-15)24-14(2)27/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,28)(H,24,27)