2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate Openeye Name: 2-[1-(p-tolylsulfonyl)benzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[1-(4-methylphenyl)sulfonyl-2-benzimidazolyl]thio]ethyl ester IUPAC Name: 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(1-tosylbenzimidazol-2-yl)thio]ethyl ester Formula: C23H22N2O5S3 MolecularWeight: 502.62618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2SCCOS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2SCCOS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H22N2O5S3/c1-17-7-11-19(12-8-17)32(26,27)25-22-6-4-3-5-21(22)24-23(25)31-16-15-30-33(28,29)20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3