dimethyl (E)-2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]but-2-enedioate Openeye Name: dimethyl (E)-2-[1-(p-tolylsulfonyl)pyrrol-2-yl]but-2-enedioate CAS Name: (E)-2-[1-(4-methylphenyl)sulfonyl-2-pyrrolyl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]but-2-enedioate Traditional Name: (E)-2-(1-tosylpyrrol-2-yl)but-2-enedioic acid dimethyl ester Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C(=CC(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2/C(=C\C(=O)OC)/C(=O)OC

InChI

InChI=1S/C17H17NO6S/c1-12-6-8-13(9-7-12)25(21,22)18-10-4-5-15(18)14(17(20)24-3)11-16(19)23-2/h4-11H,1-3H3/b14-11+