2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid

Systemtic Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid Openeye Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-5-(2-thienylsulfonylamino)benzoic acid CAS Name: 2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-5-(thiophen-2-ylsulfonylamino)benzoic acid IUPAC Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid Traditional Name: 2-[4-(3-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=C2)F)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)F)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CS4)C(=O)O

InChI

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