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

Systemtic Name: ethyl 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[[2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 4-phenyl-2-[[2-(4-tosylpiperazino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C26H29N3O5S2 MolecularWeight: 527.65556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H29N3O5S2/c1-3-34-26(31)24-22(20-7-5-4-6-8-20)18-35-25(24)27-23(30)17-28-13-15-29(16-14-28)36(32,33)21-11-9-19(2)10-12-21/h4-12,18H,3,13-17H2,1-2H3,(H,27,30)