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

Systemtic Name: 3-[(2-chloranyl-4-pent-1-ynyl-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(2-chloro-4-pent-1-ynyl-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide CAS Name: 3-[(2-chloro-4-pent-1-ynylphenyl)methyl]-2-methyl-N-pentylsulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(2-chloro-4-pent-1-ynylphenyl)methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide Traditional Name: N-amylsulfonyl-3-(2-chloro-4-pent-1-ynyl-benzyl)-2-methyl-benzimidazole-5-carboxamide Formula: C26H30ClN3O3S MolecularWeight: 500.0527

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)C#CCCC)Cl)C

Isomeric SMILES

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)C#CCCC)Cl)C

InChI

InChI=1S/C26H30ClN3O3S/c1-4-6-8-10-20-11-12-22(23(27)16-20)18-30-19(3)28-24-14-13-21(17-25(24)30)26(31)29-34(32,33)15-9-7-5-2/h11-14,16-17H,4-7,9,15,18H2,1-3H3,(H,29,31)