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

Systemtic Name: 3-[(2-chloranyl-4-hexyl-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(2-chloro-4-hexyl-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide CAS Name: 3-[(2-chloro-4-hexylphenyl)methyl]-2-methyl-N-pentylsulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(2-chloro-4-hexylphenyl)methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide Traditional Name: N-amylsulfonyl-3-(2-chloro-4-hexyl-benzyl)-2-methyl-benzimidazole-5-carboxamide Formula: C27H36ClN3O3S MolecularWeight: 518.11104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)NS(=O)(=O)CCCCC)C)Cl

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)NS(=O)(=O)CCCCC)C)Cl

InChI

InChI=1S/C27H36ClN3O3S/c1-4-6-8-9-11-21-12-13-23(24(28)17-21)19-31-20(3)29-25-15-14-22(18-26(25)31)27(32)30-35(33,34)16-10-7-5-2/h12-15,17-18H,4-11,16,19H2,1-3H3,(H,30,32)