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

Systemtic Name: 3-[(2-chloranyl-4-octoxy-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(2-chloro-4-octoxy-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide CAS Name: 3-[(2-chloro-4-octoxyphenyl)methyl]-2-methyl-N-pentylsulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(2-chloro-4-octoxyphenyl)methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide Traditional Name: N-amylsulfonyl-3-(2-chloro-4-octoxy-benzyl)-2-methyl-benzimidazole-5-carboxamide Formula: C29H40ClN3O4S MolecularWeight: 562.1636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)NS(=O)(=O)CCCCC)C)Cl

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)NS(=O)(=O)CCCCC)C)Cl

InChI

InChI=1S/C29H40ClN3O4S/c1-4-6-8-9-10-11-17-37-25-15-13-24(26(30)20-25)21-33-22(3)31-27-16-14-23(19-28(27)33)29(34)32-38(35,36)18-12-7-5-2/h13-16,19-20H,4-12,17-18,21H2,1-3H3,(H,32,34)