ethyl 2-[2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H26N3O6S2+ MolecularWeight: 480.57764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S2/c1-3-30-21(27)18-8-13-31-20(18)22-19(26)14-23-9-11-24(12-10-23)32(28,29)17-6-4-16(5-7-17)15(2)25/h4-8,13H,3,9-12,14H2,1-2H3,(H,22,26)/p+1