4-[[6-(5-azanylpentylsulfonylamino)-1H-benzimidazol-2-yl]methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide

Systemtic Name: 4-[[6-(5-azanylpentylsulfonylamino)-1H-benzimidazol-2-yl]methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide Openeye Name: 4-[[6-(5-aminopentylsulfonylamino)-1H-benzimidazol-2-yl]methyl]-N-(o-tolylmethyl)cyclohexanecarboxamide CAS Name: 4-[[6-(5-aminopentylsulfonylamino)-1H-benzimidazol-2-yl]methyl]-N-[(2-methylphenyl)methyl]-1-cyclohexanecarboxamide IUPAC Name: 4-[[6-(5-aminopentylsulfonylamino)-1H-benzimidazol-2-yl]methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide Traditional Name: 4-[[6-(5-aminopentylsulfonylamino)-1H-benzimidazol-2-yl]methyl]-N-(2-methylbenzyl)cyclohexanecarboxamide Formula: C28H39N5O3S MolecularWeight: 525.70596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2CCC(CC2)CC3=NC4=C(N3)C=C(C=C4)NS(=O)(=O)CCCCCN

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2CCC(CC2)CC3=NC4=C(N3)C=C(C=C4)NS(=O)(=O)CCCCCN

InChI

InChI=1S/C28H39N5O3S/c1-20-7-3-4-8-23(20)19-30-28(34)22-11-9-21(10-12-22)17-27-31-25-14-13-24(18-26(25)32-27)33-37(35,36)16-6-2-5-15-29/h3-4,7-8,13-14,18,21-22,33H,2,5-6,9-12,15-17,19,29H2,1H3,(H,30,34)(H,31,32)