3-[[2-chloranyl-4-(3-methylbutoxy)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-benzimidazole-5-carboxamide

Systemtic Name: 3-[[2-chloranyl-4-(3-methylbutoxy)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(2-chloro-4-isopentyloxy-phenyl)methyl]-2-methyl-N-(p-tolylsulfonyl)benzimidazole-5-carboxamide CAS Name: 3-[[2-chloro-4-(3-methylbutoxy)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[[2-chloro-4-(3-methylbutoxy)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide Traditional Name: 3-(2-chloro-4-isoamoxy-benzyl)-2-methyl-N-tosyl-benzimidazole-5-carboxamide Formula: C28H30ClN3O4S MolecularWeight: 540.0735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC3=C(C=C2)N=C(N3CC4=C(C=C(C=C4)OCCC(C)C)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC3=C(C=C2)N=C(N3CC4=C(C=C(C=C4)OCCC(C)C)Cl)C

InChI

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