methyl 4-[1-(phenylsulfonyl)pyrrol-3-yl]butanoate

Systemtic Name: methyl 4-[1-(phenylsulfonyl)pyrrol-3-yl]butanoate Openeye Name: methyl 4-[1-(benzenesulfonyl)pyrrol-3-yl]butanoate CAS Name: 4-[1-(benzenesulfonyl)-3-pyrrolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[1-(benzenesulfonyl)pyrrol-3-yl]butanoate Traditional Name: 4-(1-besylpyrrol-3-yl)butyric acid methyl ester Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCC1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H17NO4S/c1-20-15(17)9-5-6-13-10-11-16(12-13)21(18,19)14-7-3-2-4-8-14/h2-4,7-8,10-12H,5-6,9H2,1H3