methyl 2-[1-(phenylsulfonyl)pyrrol-3-yl]ethanoate

Systemtic Name: methyl 2-[1-(phenylsulfonyl)pyrrol-3-yl]ethanoate Openeye Name: methyl 2-[1-(benzenesulfonyl)pyrrol-3-yl]acetate CAS Name: 2-[1-(benzenesulfonyl)-3-pyrrolyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(benzenesulfonyl)pyrrol-3-yl]acetate Traditional Name: 2-(1-besylpyrrol-3-yl)acetic acid methyl ester Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CC1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H13NO4S/c1-18-13(15)9-11-7-8-14(10-11)19(16,17)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3