phenyl 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanesulfonate CAS Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C16H16N2O4S2 MolecularWeight: 364.43924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C16H16N2O4S2/c1-21-13-7-8-14-15(11-13)18-16(17-14)23-9-10-24(19,20)22-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,18)