ethyl 4-[4-methyl-1-(phenylsulfonyl)pyrrol-3-yl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[4-methyl-1-(phenylsulfonyl)pyrrol-3-yl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[1-(benzenesulfonyl)-4-methyl-pyrrol-3-yl]-1H-pyrrole-3-carboxylate CAS Name: 4-[1-(benzenesulfonyl)-4-methyl-3-pyrrolyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(benzenesulfonyl)-4-methylpyrrol-3-yl]-1H-pyrrole-3-carboxylate Traditional Name: 4-(1-besyl-4-methyl-pyrrol-3-yl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC=C1C2=CN(C=C2C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CNC=C1C2=CN(C=C2C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O4S/c1-3-24-18(21)16-10-19-9-15(16)17-12-20(11-13(17)2)25(22,23)14-7-5-4-6-8-14/h4-12,19H,3H2,1-2H3