methyl 3-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]thiophene-2-carboxylate CAS Name: 3-[[4-(4-methyl-1-piperazin-4-iumyl)phenyl]sulfamoyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]thiophene-2-carboxylic acid methyl ester Formula: C17H22N3O4S2+ MolecularWeight: 396.50428

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C17H21N3O4S2/c1-19-8-10-20(11-9-19)14-5-3-13(4-6-14)18-26(22,23)15-7-12-25-16(15)17(21)24-2/h3-7,12,18H,8-11H2,1-2H3/p+1