5-[methyl-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfamoyl]thiophene-3-carboxylic acid

Systemtic Name: 5-[methyl-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfamoyl]thiophene-3-carboxylic acid Openeye Name: 5-[[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-methyl-sulfamoyl]thiophene-3-carboxylic acid CAS Name: 5-[methyl-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]sulfamoyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylsulfamoyl]thiophene-3-carboxylic acid Traditional Name: 5-[[2-(4-benzylpiperazino)-2-keto-ethyl]-methyl-sulfamoyl]-3-thenoic acid Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC(=CS3)C(=O)O

Isomeric SMILES

CN(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC(=CS3)C(=O)O

InChI

InChI=1S/C19H23N3O5S2/c1-20(29(26,27)18-11-16(14-28-18)19(24)25)13-17(23)22-9-7-21(8-10-22)12-15-5-3-2-4-6-15/h2-6,11,14H,7-10,12-13H2,1H3,(H,24,25)