3-[[4-(butanoylamino)-2-chloranyl-phenyl]methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide

Systemtic Name: 3-[[4-(butanoylamino)-2-chloranyl-phenyl]methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[[4-(butanoylamino)-2-chloro-phenyl]methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide CAS Name: 3-[[2-chloro-4-(1-oxobutylamino)phenyl]methyl]-2-methyl-N-pentylsulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[[4-(butanoylamino)-2-chlorophenyl]methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide Traditional Name: N-amylsulfonyl-3-(4-butyramido-2-chloro-benzyl)-2-methyl-benzimidazole-5-carboxamide Formula: C25H31ClN4O4S MolecularWeight: 519.05604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)NC(=O)CCC)Cl)C

Isomeric SMILES

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)NC(=O)CCC)Cl)C

InChI

InChI=1S/C25H31ClN4O4S/c1-4-6-7-13-35(33,34)29-25(32)18-10-12-22-23(14-18)30(17(3)27-22)16-19-9-11-20(15-21(19)26)28-24(31)8-5-2/h9-12,14-15H,4-8,13,16H2,1-3H3,(H,28,31)(H,29,32)