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

Systemtic Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid CAS Name: 2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid IUPAC Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid Traditional Name: 2-[4-(3-fluorobenzyl)piperazino]-5-(2-thenoylamino)benzoic acid Formula: C23H22FN3O3S MolecularWeight: 439.502483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22FN3O3S/c24-17-4-1-3-16(13-17)15-26-8-10-27(11-9-26)20-7-6-18(14-19(20)23(29)30)25-22(28)21-5-2-12-31-21/h1-7,12-14H,8-11,15H2,(H,25,28)(H,29,30)