ethyl 2-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H32N3O6S2+ MolecularWeight: 522.65738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C24H31N3O6S2/c1-6-33-24(30)21-17(4)22(18(5)28)34-23(21)25-20(29)14-26-9-11-27(12-10-26)35(31,32)19-13-15(2)7-8-16(19)3/h7-8,13H,6,9-12,14H2,1-5H3,(H,25,29)/p+1