ethyl 2-azanyl-2-(methylsulfonylmethyl)-5-(6-octyl-1H-benzimidazol-2-yl)-3,4-bis(oxidanyl)pentanoate

Systemtic Name: ethyl 2-azanyl-2-(methylsulfonylmethyl)-5-(6-octyl-1H-benzimidazol-2-yl)-3,4-bis(oxidanyl)pentanoate Openeye Name: ethyl 2-amino-3,4-dihydroxy-2-(methylsulfonylmethyl)-5-(6-octyl-1H-benzimidazol-2-yl)pentanoate CAS Name: 2-amino-3,4-dihydroxy-2-(methylsulfonylmethyl)-5-(6-octyl-1H-benzimidazol-2-yl)pentanoic acid ethyl ester IUPAC Name: ethyl 2-amino-3,4-dihydroxy-2-(methylsulfonylmethyl)-5-(6-octyl-1H-benzimidazol-2-yl)pentanoate Traditional Name: 2-amino-3,4-dihydroxy-2-(mesylmethyl)-5-(6-octyl-1H-benzimidazol-2-yl)valeric acid ethyl ester Formula: C24H39N3O6S MolecularWeight: 497.64796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)N=C(N2)CC(C(C(CS(=O)(=O)C)(C(=O)OCC)N)O)O

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)N=C(N2)CC(C(C(CS(=O)(=O)C)(C(=O)OCC)N)O)O

InChI

InChI=1S/C24H39N3O6S/c1-4-6-7-8-9-10-11-17-12-13-18-19(14-17)27-21(26-18)15-20(28)22(29)24(25,16-34(3,31)32)23(30)33-5-2/h12-14,20,22,28-29H,4-11,15-16,25H2,1-3H3,(H,26,27)