4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-(phenylsulfonylamino)benzoic acid

Systemtic Name: 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-(phenylsulfonylamino)benzoic acid Openeye Name: 3-(benzenesulfonamido)-4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]benzoic acid CAS Name: 3-(benzenesulfonamido)-4-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-(benzenesulfonamido)-4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]benzoic acid Traditional Name: 3-(benzenesulfonamido)-4-[4-(3-fluorobenzyl)piperazino]benzoic acid Formula: C24H24FN3O4S MolecularWeight: 469.528463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)F)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)F)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H24FN3O4S/c25-20-6-4-5-18(15-20)17-27-11-13-28(14-12-27)23-10-9-19(24(29)30)16-22(23)26-33(31,32)21-7-2-1-3-8-21/h1-10,15-16,26H,11-14,17H2,(H,29,30)