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

Systemtic Name: 3-[(2-chloranyl-4-hex-1-ynyl-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(2-chloro-4-hex-1-ynyl-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide CAS Name: 3-[(2-chloro-4-hex-1-ynylphenyl)methyl]-2-methyl-N-pentylsulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(2-chloro-4-hex-1-ynylphenyl)methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide Traditional Name: N-amylsulfonyl-3-(2-chloro-4-hex-1-ynyl-benzyl)-2-methyl-benzimidazole-5-carboxamide Formula: C27H32ClN3O3S MolecularWeight: 514.07928

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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#CCCCC)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C27H32ClN3O3S/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,4-8,10,16,19H2,1-3H3,(H,30,32)