4-(4-methylpiperazin-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzoic acid

Systemtic Name: 4-(4-methylpiperazin-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzoic acid Openeye Name: 4-(4-methylpiperazin-1-yl)-3-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoic acid CAS Name: 4-(4-methyl-1-piperazinyl)-3-(2-oxolanylmethylsulfamoyl)benzoic acid IUPAC Name: 4-(4-methylpiperazin-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzoic acid Traditional Name: 4-(4-methylpiperazino)-3-(tetrahydrofurfurylsulfamoyl)benzoic acid Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)NCC3CCCO3

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)NCC3CCCO3

InChI

InChI=1S/C17H25N3O5S/c1-19-6-8-20(9-7-19)15-5-4-13(17(21)22)11-16(15)26(23,24)18-12-14-3-2-10-25-14/h4-5,11,14,18H,2-3,6-10,12H2,1H3,(H,21,22)