ethyl 5-chloranyl-4-phenyl-2-[2-(4-sulfamoylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-4-phenyl-2-[2-(4-sulfamoylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-chloro-4-phenyl-2-[[2-(4-sulfamoylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-chloro-2-[[1-oxo-2-(4-sulfamoyl-1-piperazin-1-iumyl)ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-4-phenyl-2-[[2-(4-sulfamoylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-chloro-4-phenyl-2-[[2-(4-sulfamoylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H24ClN4O5S2+ MolecularWeight: 488.00066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Cl)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Cl)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)N

InChI

InChI=1S/C19H23ClN4O5S2/c1-2-29-19(26)16-15(13-6-4-3-5-7-13)17(20)30-18(16)22-14(25)12-23-8-10-24(11-9-23)31(21,27)28/h3-7H,2,8-12H2,1H3,(H,22,25)(H2,21,27,28)/p+1