dimethyl 5-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[4-[cyano-(4-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-[cyano-(4-fluorophenyl)methyl]piperazino]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H22FN3O6S2 MolecularWeight: 495.544283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CCN(CC2)C(C#N)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CCN(CC2)C(C#N)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C21H22FN3O6S2/c1-13-17(19(26)30-2)21(32-18(13)20(27)31-3)33(28,29)25-10-8-24(9-11-25)16(12-23)14-4-6-15(22)7-5-14/h4-7,16H,8-11H2,1-3H3