4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-(methylsulfonylamino)benzoic acid

Systemtic Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-(methylsulfonylamino)benzoic acid Openeye Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-(methanesulfonamido)benzoic acid CAS Name: 4-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-3-(methanesulfonamido)benzoic acid IUPAC Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-(methanesulfonamido)benzoic acid Traditional Name: 4-[4-(2-fluorobenzyl)piperazino]-3-(methanesulfonamido)benzoic acid Formula: C19H22FN3O4S MolecularWeight: 407.459083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC3=CC=CC=C3F

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC3=CC=CC=C3F

InChI

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