2-[2-(phenylcarbonyl)pyrrol-1-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-(phenylcarbonyl)pyrrol-1-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-(2-benzoylpyrrol-1-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(2-benzoyl-1-pyrrolyl)ethyl ester IUPAC Name: 2-(2-benzoylpyrrol-1-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(2-benzoylpyrrol-1-yl)ethyl ester Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=CC=C2C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=CC=C2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO4S/c1-16-9-11-18(12-10-16)26(23,24)25-15-14-21-13-5-8-19(21)20(22)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3