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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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