ethyl 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[4-(3-fluorophenyl)sulfonylpiperazino]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C25H26FN3O5S2 MolecularWeight: 531.619443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C25H26FN3O5S2/c1-2-34-25(31)24-21(16-22(35-24)18-7-4-3-5-8-18)27-23(30)17-28-11-13-29(14-12-28)36(32,33)20-10-6-9-19(26)15-20/h3-10,15-16H,2,11-14,17H2,1H3,(H,27,30)