2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid

Systemtic Name: 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid Openeye Name: 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-(2-thienylsulfonylamino)benzoic acid CAS Name: 2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-5-(thiophen-2-ylsulfonylamino)benzoic acid IUPAC Name: 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid Traditional Name: 2-[4-(2-fluorobenzyl)piperazino]-5-(2-thienylsulfonylamino)benzoic acid Formula: C22H22FN3O4S2 MolecularWeight: 475.556183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C22H22FN3O4S2/c23-19-5-2-1-4-16(19)15-25-9-11-26(12-10-25)20-8-7-17(14-18(20)22(27)28)24-32(29,30)21-6-3-13-31-21/h1-8,13-14,24H,9-12,15H2,(H,27,28)