methyl 6-[3-phenyl-2-(phenylmethyl)sulfonyl-benzimidazol-5-yl]oxyhexanoate

Systemtic Name: methyl 6-[3-phenyl-2-(phenylmethyl)sulfonyl-benzimidazol-5-yl]oxyhexanoate Openeye Name: methyl 6-(2-benzylsulfonyl-3-phenyl-benzimidazol-5-yl)oxyhexanoate CAS Name: 6-[[3-phenyl-2-(phenylmethyl)sulfonyl-5-benzimidazolyl]oxy]hexanoic acid methyl ester IUPAC Name: methyl 6-(2-benzylsulfonyl-3-phenylbenzimidazol-5-yl)oxyhexanoate Traditional Name: 6-(2-benzylsulfonyl-3-phenyl-benzimidazol-5-yl)oxyhexanoic acid methyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCOC1=CC2=C(C=C1)N=C(N2C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)CCCCCOC1=CC2=C(C=C1)N=C(N2C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O5S/c1-33-26(30)15-9-4-10-18-34-23-16-17-24-25(19-23)29(22-13-7-3-8-14-22)27(28-24)35(31,32)20-21-11-5-2-6-12-21/h2-3,5-8,11-14,16-17,19H,4,9-10,15,18,20H2,1H3