N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine

Systemtic Name: N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine Openeye Name: N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine CAS Name: N-[4-[[4-(3-methoxyphenyl)-1-piperazinyl]sulfonyl]phenyl]-7-(trifluoromethyl)-4-quinolinamine IUPAC Name: N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine Traditional Name: [4-[4-(3-methoxyphenyl)piperazino]sulfonylphenyl]-[7-(trifluoromethyl)-4-quinolyl]amine Formula: C27H25F3N4O3S MolecularWeight: 542.57261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F

InChI

InChI=1S/C27H25F3N4O3S/c1-37-22-4-2-3-21(18-22)33-13-15-34(16-14-33)38(35,36)23-8-6-20(7-9-23)32-25-11-12-31-26-17-19(27(28,29)30)5-10-24(25)26/h2-12,17-18H,13-16H2,1H3,(H,31,32)