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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)N

InChI

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