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

Systemtic Name: ethyl 2-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H32N3O5S2+ MolecularWeight: 494.64728

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H31N3O5S2/c1-6-31-23(28)21-17(4)18(5)32-22(21)24-20(27)14-25-9-11-26(12-10-25)33(29,30)19-13-15(2)7-8-16(19)3/h7-8,13H,6,9-12,14H2,1-5H3,(H,24,27)/p+1