4-piperazin-1-yl-6-[4-(trifluoromethyl)phenyl]sulfonyl-quinoline hydrochloride

Systemtic Name: 4-piperazin-1-yl-6-[4-(trifluoromethyl)phenyl]sulfonyl-quinoline hydrochloride Openeye Name: 4-piperazin-1-yl-6-[4-(trifluoromethyl)phenyl]sulfonyl-quinoline hydrochloride CAS Name: 4-(1-piperazinyl)-6-[4-(trifluoromethyl)phenyl]sulfonylquinoline hydrochloride IUPAC Name: 4-piperazin-1-yl-6-[4-(trifluoromethyl)phenyl]sulfonylquinoline hydrochloride Traditional Name: 4-piperazino-6-[4-(trifluoromethyl)phenyl]sulfonyl-quinoline hydrochloride Formula: C20H19ClF3N3O2S MolecularWeight: 457.89697

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C3C=C(C=CC3=NC=C2)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F.Cl

Isomeric SMILES

C1CN(CCN1)C2=C3C=C(C=CC3=NC=C2)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F.Cl

InChI

InChI=1S/C20H18F3N3O2S.ClH/c21-20(22,23)14-1-3-15(4-2-14)29(27,28)16-5-6-18-17(13-16)19(7-8-25-18)26-11-9-24-10-12-26;/h1-8,13,24H,9-12H2;1H