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

Systemtic Name: ethyl 2-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-methylsulfonyl-1-piperazinyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-mesylpiperazino)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S2/c1-3-28-20(25)18-16(15-7-5-4-6-8-15)14-29-19(18)21-17(24)13-22-9-11-23(12-10-22)30(2,26)27/h4-8,14H,3,9-13H2,1-2H3,(H,21,24)