phenyl 2-(5,6-dimethylbenzimidazol-1-yl)ethanesulfonate

Systemtic Name: phenyl 2-(5,6-dimethylbenzimidazol-1-yl)ethanesulfonate Openeye Name: phenyl 2-(5,6-dimethylbenzimidazol-1-yl)ethanesulfonate CAS Name: 2-(5,6-dimethyl-1-benzimidazolyl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(5,6-dimethylbenzimidazol-1-yl)ethanesulfonate Traditional Name: 2-(5,6-dimethylbenzimidazol-1-yl)ethanesulfonic acid phenyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)CCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)CCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H18N2O3S/c1-13-10-16-17(11-14(13)2)19(12-18-16)8-9-23(20,21)22-15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3