2-[6-fluoranyl-4-(4-piperazin-1-ylsulfonylphenyl)carbonyl-naphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[6-fluoranyl-4-(4-piperazin-1-ylsulfonylphenyl)carbonyl-naphthalen-2-yl]ethanoic acid Openeye Name: 2-[6-fluoro-4-(4-piperazin-1-ylsulfonylbenzoyl)-2-naphthyl]acetic acid CAS Name: 2-[6-fluoro-4-[oxo-[4-(1-piperazinylsulfonyl)phenyl]methyl]-2-naphthalenyl]acetic acid IUPAC Name: 2-[6-fluoro-4-(4-piperazin-1-ylsulfonylbenzoyl)naphthalen-2-yl]acetic acid Traditional Name: 2-[6-fluoro-4-(4-piperazinosulfonylbenzoyl)-2-naphthyl]acetic acid Formula: C23H21FN2O5S MolecularWeight: 456.486643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C3=C4C=C(C=CC4=CC(=C3)CC(=O)O)F

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C3=C4C=C(C=CC4=CC(=C3)CC(=O)O)F

InChI

InChI=1S/C23H21FN2O5S/c24-18-4-1-17-11-15(13-22(27)28)12-21(20(17)14-18)23(29)16-2-5-19(6-3-16)32(30,31)26-9-7-25-8-10-26/h1-6,11-12,14,25H,7-10,13H2,(H,27,28)