methyl 6-[3-(4-methylphenyl)-2-(phenylsulfonyl)benzimidazol-5-yl]oxyhexanoate

Systemtic Name: methyl 6-[3-(4-methylphenyl)-2-(phenylsulfonyl)benzimidazol-5-yl]oxyhexanoate Openeye Name: methyl 6-[2-(benzenesulfonyl)-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoate CAS Name: 6-[[2-(benzenesulfonyl)-3-(4-methylphenyl)-5-benzimidazolyl]oxy]hexanoic acid methyl ester IUPAC Name: methyl 6-[2-(benzenesulfonyl)-3-(4-methylphenyl)benzimidazol-5-yl]oxyhexanoate Traditional Name: 6-[2-besyl-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoic acid methyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=CC(=C3)OCCCCCC(=O)OC)N=C2S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=CC(=C3)OCCCCCC(=O)OC)N=C2S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O5S/c1-20-12-14-21(15-13-20)29-25-19-22(34-18-8-4-7-11-26(30)33-2)16-17-24(25)28-27(29)35(31,32)23-9-5-3-6-10-23/h3,5-6,9-10,12-17,19H,4,7-8,11,18H2,1-2H3