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

Systemtic Name: 3-(ethylsulfonylamino)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]benzoic acid Openeye Name: 3-(ethylsulfonylamino)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]benzoic acid CAS Name: 3-(ethylsulfonylamino)-4-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-(ethylsulfonylamino)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]benzoic acid Traditional Name: 3-(esylamino)-4-[4-(2-fluorobenzyl)piperazino]benzoic acid Formula: C20H24FN3O4S MolecularWeight: 421.485663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O4S/c1-2-29(27,28)22-18-13-15(20(25)26)7-8-19(18)24-11-9-23(10-12-24)14-16-5-3-4-6-17(16)21/h3-8,13,22H,2,9-12,14H2,1H3,(H,25,26)