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

Systemtic Name: 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-(methylsulfonylamino)benzoic acid Openeye Name: 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-(methanesulfonamido)benzoic acid CAS Name: 4-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-3-(methanesulfonamido)benzoic acid IUPAC Name: 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-(methanesulfonamido)benzoic acid Traditional Name: 4-[4-(3-fluorobenzyl)piperazino]-3-(methanesulfonamido)benzoic acid Formula: C19H22FN3O4S MolecularWeight: 407.459083

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C19H22FN3O4S/c1-28(26,27)21-17-12-15(19(24)25)5-6-18(17)23-9-7-22(8-10-23)13-14-3-2-4-16(20)11-14/h2-6,11-12,21H,7-10,13H2,1H3,(H,24,25)