2-methyl-1-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-3,4-dihydro-2H-quinoline; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-methyl-1-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-3,4-dihydro-2H-quinoline; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-methyl-1-(1-naphthylsulfonyl)-5-piperazin-1-yl-3,4-dihydro-2H-quinoline; 2,2,2-trifluoroacetic acid CAS Name: 2-methyl-1-(1-naphthalenylsulfonyl)-5-(1-piperazinyl)-3,4-dihydro-2H-quinoline; 2,2,2-trifluoroacetic acid IUPAC Name: 2-methyl-1-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-3,4-dihydro-2H-quinoline; 2,2,2-trifluoroacetic acid Traditional Name: 2-methyl-1-(1-naphthylsulfonyl)-5-piperazino-3,4-dihydro-2H-quinoline; 2,2,2-trifluoroacetic acid Formula: C26H28F3N3O4S MolecularWeight: 535.57843

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C=CC=C2N1S(=O)(=O)C3=CC=CC4=CC=CC=C43)N5CCNCC5.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1CCC2=C(C=CC=C2N1S(=O)(=O)C3=CC=CC4=CC=CC=C43)N5CCNCC5.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C24H27N3O2S.C2HF3O2/c1-18-12-13-21-22(26-16-14-25-15-17-26)9-5-10-23(21)27(18)30(28,29)24-11-4-7-19-6-2-3-8-20(19)24;3-2(4,5)1(6)7/h2-11,18,25H,12-17H2,1H3;(H,6,7)