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

Systemtic Name: 3-[[2-chloranyl-4-(phenoxymethyl)phenyl]methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[[2-chloro-4-(phenoxymethyl)phenyl]methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide CAS Name: 3-[[2-chloro-4-(phenoxymethyl)phenyl]methyl]-2-methyl-N-pentylsulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[[2-chloro-4-(phenoxymethyl)phenyl]methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide Traditional Name: N-amylsulfonyl-3-[2-chloro-4-(phenoxymethyl)benzyl]-2-methyl-benzimidazole-5-carboxamide Formula: C28H30ClN3O4S MolecularWeight: 540.0735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=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

CCCCCS(=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/C28H30ClN3O4S/c1-3-4-8-15-37(34,35)31-28(33)22-13-14-26-27(17-22)32(20(2)30-26)18-23-12-11-21(16-25(23)29)19-36-24-9-6-5-7-10-24/h5-7,9-14,16-17H,3-4,8,15,18-19H2,1-2H3,(H,31,33)