3-[(2-chloranyl-4-hept-1-ynyl-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide

Systemtic Name: 3-[(2-chloranyl-4-hept-1-ynyl-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(2-chloro-4-hept-1-ynyl-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide CAS Name: 3-[(2-chloro-4-hept-1-ynylphenyl)methyl]-2-methyl-N-pentylsulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(2-chloro-4-hept-1-ynylphenyl)methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide Traditional Name: N-amylsulfonyl-3-(2-chloro-4-hept-1-ynyl-benzyl)-2-methyl-benzimidazole-5-carboxamide Formula: C28H34ClN3O3S MolecularWeight: 528.10586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)NS(=O)(=O)CCCCC)C)Cl

Isomeric SMILES

CCCCCC#CC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)NS(=O)(=O)CCCCC)C)Cl

InChI

InChI=1S/C28H34ClN3O3S/c1-4-6-8-9-10-12-22-13-14-24(25(29)18-22)20-32-21(3)30-26-16-15-23(19-27(26)32)28(33)31-36(34,35)17-11-7-5-2/h13-16,18-19H,4-9,11,17,20H2,1-3H3,(H,31,33)