ethyl 4-(4-fluorophenyl)-1-(phenylsulfonyl)-2-propan-2-yl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-1-(phenylsulfonyl)-2-propan-2-yl-pyrrole-3-carboxylate Openeye Name: ethyl 1-(benzenesulfonyl)-4-(4-fluorophenyl)-2-isopropyl-pyrrole-3-carboxylate CAS Name: 1-(benzenesulfonyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(benzenesulfonyl)-4-(4-fluorophenyl)-2-propan-2-ylpyrrole-3-carboxylate Traditional Name: 1-besyl-4-(4-fluorophenyl)-2-isopropyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H22FNO4S MolecularWeight: 415.477783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C=C1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C=C1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C22H22FNO4S/c1-4-28-22(25)20-19(16-10-12-17(23)13-11-16)14-24(21(20)15(2)3)29(26,27)18-8-6-5-7-9-18/h5-15H,4H2,1-3H3