1-(4-methoxy-3-piperazin-1-yl-phenyl)sulfonyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline hydrochloride

Systemtic Name: 1-(4-methoxy-3-piperazin-1-yl-phenyl)sulfonyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline hydrochloride Openeye Name: 1-(4-methoxy-3-piperazin-1-yl-phenyl)sulfonyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline hydrochloride CAS Name: 1-[4-methoxy-3-(1-piperazinyl)phenyl]sulfonyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline hydrochloride IUPAC Name: 1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline hydrochloride Traditional Name: 1-(4-methoxy-3-piperazino-phenyl)sulfonyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline hydrochloride Formula: C21H25ClF3N3O3S MolecularWeight: 491.95471

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC3=C2C=C(C=C3)C(F)(F)F)N4CCNCC4.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC3=C2C=C(C=C3)C(F)(F)F)N4CCNCC4.Cl

InChI

InChI=1S/C21H24F3N3O3S.ClH/c1-30-20-7-6-17(14-19(20)26-11-8-25-9-12-26)31(28,29)27-10-2-3-15-4-5-16(13-18(15)27)21(22,23)24;/h4-7,13-14,25H,2-3,8-12H2,1H3;1H