methyl 4-[2-cyano-1-(4-methylphenyl)sulfonyl-pyrrol-3-yl]butanoate

Systemtic Name: methyl 4-[2-cyano-1-(4-methylphenyl)sulfonyl-pyrrol-3-yl]butanoate Openeye Name: methyl 4-[2-cyano-1-(p-tolylsulfonyl)pyrrol-3-yl]butanoate CAS Name: 4-[2-cyano-1-(4-methylphenyl)sulfonyl-3-pyrrolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-cyano-1-(4-methylphenyl)sulfonylpyrrol-3-yl]butanoate Traditional Name: 4-(2-cyano-1-tosyl-pyrrol-3-yl)butyric acid methyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S/c1-13-6-8-15(9-7-13)24(21,22)19-11-10-14(16(19)12-18)4-3-5-17(20)23-2/h6-11H,3-5H2,1-2H3