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

Systemtic Name: ethyl 3-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[4-(2-cyanophenyl)sulfonylpiperazino]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C26H26N4O5S2 MolecularWeight: 538.63844

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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=C4C#N

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H26N4O5S2/c1-2-35-26(32)25-21(16-22(36-25)19-8-4-3-5-9-19)28-24(31)18-29-12-14-30(15-13-29)37(33,34)23-11-7-6-10-20(23)17-27/h3-11,16H,2,12-15,18H2,1H3,(H,28,31)