N-butylsulfonyl-3-[[2-chloranyl-4-(phenoxymethyl)phenyl]methyl]-2-methyl-benzimidazole-5-carboxamide

Systemtic Name: N-butylsulfonyl-3-[[2-chloranyl-4-(phenoxymethyl)phenyl]methyl]-2-methyl-benzimidazole-5-carboxamide Openeye Name: N-butylsulfonyl-3-[[2-chloro-4-(phenoxymethyl)phenyl]methyl]-2-methyl-benzimidazole-5-carboxamide CAS Name: N-butylsulfonyl-3-[[2-chloro-4-(phenoxymethyl)phenyl]methyl]-2-methyl-5-benzimidazolecarboxamide IUPAC Name: N-butylsulfonyl-3-[[2-chloro-4-(phenoxymethyl)phenyl]methyl]-2-methylbenzimidazole-5-carboxamide Traditional Name: N-butylsulfonyl-3-[2-chloro-4-(phenoxymethyl)benzyl]-2-methyl-benzimidazole-5-carboxamide Formula: C27H28ClN3O4S MolecularWeight: 526.04692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)COC4=CC=CC=C4)Cl)C

Isomeric SMILES

CCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)COC4=CC=CC=C4)Cl)C

InChI

InChI=1S/C27H28ClN3O4S/c1-3-4-14-36(33,34)30-27(32)21-12-13-25-26(16-21)31(19(2)29-25)17-22-11-10-20(15-24(22)28)18-35-23-8-6-5-7-9-23/h5-13,15-16H,3-4,14,17-18H2,1-2H3,(H,30,32)