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

Systemtic Name: methyl 2-[1-(phenylsulfonyl)-2-propanoyl-pyrrol-3-yl]ethanoate Openeye Name: methyl 2-[1-(benzenesulfonyl)-2-propanoyl-pyrrol-3-yl]acetate CAS Name: 2-[1-(benzenesulfonyl)-2-(1-oxopropyl)-3-pyrrolyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(benzenesulfonyl)-2-propanoylpyrrol-3-yl]acetate Traditional Name: 2-(1-besyl-2-propionyl-pyrrol-3-yl)acetic acid methyl ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CN1S(=O)(=O)C2=CC=CC=C2)CC(=O)OC

Isomeric SMILES

CCC(=O)C1=C(C=CN1S(=O)(=O)C2=CC=CC=C2)CC(=O)OC

InChI

InChI=1S/C16H17NO5S/c1-3-14(18)16-12(11-15(19)22-2)9-10-17(16)23(20,21)13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3