2-[6-fluoranyl-4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbonyl-naphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[6-fluoranyl-4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbonyl-naphthalen-2-yl]ethanoic acid Openeye Name: 2-[6-fluoro-4-[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]-2-naphthyl]acetic acid CAS Name: 2-[6-fluoro-4-[[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]-2-naphthalenyl]acetic acid IUPAC Name: 2-[6-fluoro-4-[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]naphthalen-2-yl]acetic acid Traditional Name: 2-[6-fluoro-4-[4-(4-methylpiperazino)sulfonylbenzoyl]-2-naphthyl]acetic acid Formula: C24H23FN2O5S MolecularWeight: 470.513223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C3=C4C=C(C=CC4=CC(=C3)CC(=O)O)F

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C3=C4C=C(C=CC4=CC(=C3)CC(=O)O)F

InChI

InChI=1S/C24H23FN2O5S/c1-26-8-10-27(11-9-26)33(31,32)20-6-3-17(4-7-20)24(30)22-13-16(14-23(28)29)12-18-2-5-19(25)15-21(18)22/h2-7,12-13,15H,8-11,14H2,1H3,(H,28,29)