[4-(2,5-dimethylpyrrol-1-yl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(2,5-dimethyl-1-pyrrolyl)phenyl] ester IUPAC Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2,5-dimethylpyrrol-1-yl)phenyl] ester Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N3C(=CC=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N3C(=CC=C3C)C

InChI

InChI=1S/C19H19NO3S/c1-14-4-12-19(13-5-14)24(21,22)23-18-10-8-17(9-11-18)20-15(2)6-7-16(20)3/h4-13H,1-3H3