3-[(3-fluorophenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-[(3-fluorophenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(3-fluorophenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid CAS Name: 3-[(3-fluorophenyl)sulfonylamino]-4-(4-methyl-1-piperazinyl)benzoic acid IUPAC Name: 3-[(3-fluorophenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid Traditional Name: 3-[(3-fluorophenyl)sulfonylamino]-4-(4-methylpiperazino)benzoic acid Formula: C18H20FN3O4S MolecularWeight: 393.432503

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C18H20FN3O4S/c1-21-7-9-22(10-8-21)17-6-5-13(18(23)24)11-16(17)20-27(25,26)15-4-2-3-14(19)12-15/h2-6,11-12,20H,7-10H2,1H3,(H,23,24)