ethyl 4,5-dimethyl-2-[2-[4-(phenylsulfonyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-[4-(phenylsulfonyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]propanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[2-(4-besylpiperazino)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O5S2/c1-5-30-22(27)19-15(2)17(4)31-21(19)23-20(26)16(3)24-11-13-25(14-12-24)32(28,29)18-9-7-6-8-10-18/h6-10,16H,5,11-14H2,1-4H3,(H,23,26)