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

Systemtic Name: ethyl 5-phenyl-2-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]ethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-p-cumenylsulfonylpiperazino)acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H33N3O5S2 MolecularWeight: 555.70872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O5S2/c1-4-36-28(33)24-18-25(22-8-6-5-7-9-22)37-27(24)29-26(32)19-30-14-16-31(17-15-30)38(34,35)23-12-10-21(11-13-23)20(2)3/h5-13,18,20H,4,14-17,19H2,1-3H3,(H,29,32)