ethyl 4-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylate Openeye Name: ethyl 4-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylate CAS Name: 4-phenyl-3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylate Traditional Name: 4-phenyl-3-[4-(2-pyrimidyl)piperazino]sulfonyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CS1)C2=CC=CC=C2)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(C(=CS1)C2=CC=CC=C2)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H22N4O4S2/c1-2-29-20(26)18-19(17(15-30-18)16-7-4-3-5-8-16)31(27,28)25-13-11-24(12-14-25)21-22-9-6-10-23-21/h3-10,15H,2,11-14H2,1H3