2-[4-[[2-butyl-4-methyl-6-[pentyl(phenylsulfonyl)amino]benzimidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: 2-[4-[[2-butyl-4-methyl-6-[pentyl(phenylsulfonyl)amino]benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: 2-[4-[[6-[benzenesulfonyl(pentyl)amino]-2-butyl-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[6-[benzenesulfonyl(pentyl)amino]-2-butyl-4-methyl-1-benzimidazolyl]methyl]phenyl]benzoate IUPAC Name: 2-[4-[[6-[benzenesulfonyl(pentyl)amino]-2-butyl-4-methylbenzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[6-[amyl(besyl)amino]-2-butyl-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoate Formula: C37H40N3O4S- MolecularWeight: 622.7962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=CC2=C(C(=C1)C)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])CCCC)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCCN(C1=CC2=C(C(=C1)C)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])CCCC)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C37H41N3O4S/c1-4-6-13-23-40(45(43,44)31-14-9-8-10-15-31)30-24-27(3)36-34(25-30)39(35(38-36)18-7-5-2)26-28-19-21-29(22-20-28)32-16-11-12-17-33(32)37(41)42/h8-12,14-17,19-22,24-25H,4-7,13,18,23,26H2,1-3H3,(H,41,42)/p-1