methyl 3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate CAS Name: 3-[[(2S)-2-(4-phenyl-1-piperazin-1-iumyl)propyl]sulfamoyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]sulfamoyl]thiophene-2-carboxylic acid methyl ester Formula: C19H26N3O4S2+ MolecularWeight: 424.55744

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNS(=O)(=O)C1=C(SC=C1)C(=O)OC)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](CNS(=O)(=O)C1=C(SC=C1)C(=O)OC)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H25N3O4S2/c1-15(21-9-11-22(12-10-21)16-6-4-3-5-7-16)14-20-28(24,25)17-8-13-27-18(17)19(23)26-2/h3-8,13,15,20H,9-12,14H2,1-2H3/p+1/t15-/m0/s1