methyl 5-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[4-(4-fluorophenyl)sulfonylpiperazino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H26FN3O5S MolecularWeight: 451.511643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O5S/c1-13-18(21(27)30-4)14(2)23-19(13)20(26)15(3)24-9-11-25(12-10-24)31(28,29)17-7-5-16(22)6-8-17/h5-8,15,23H,9-12H2,1-4H3