4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]sulfonyl-indole hydrochloride

Systemtic Name: 4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]sulfonyl-indole hydrochloride Openeye Name: 4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]sulfonyl-indole hydrochloride CAS Name: 4-(3-methyl-1-piperazinyl)-1-[4-(trifluoromethyl)phenyl]sulfonylindole hydrochloride IUPAC Name: 4-(3-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]sulfonylindole hydrochloride Traditional Name: 4-(3-methylpiperazino)-1-[4-(trifluoromethyl)phenyl]sulfonyl-indole hydrochloride Formula: C20H21ClF3N3O2S MolecularWeight: 459.91285

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F.Cl

Isomeric SMILES

CC1CN(CCN1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F.Cl

InChI

InChI=1S/C20H20F3N3O2S.ClH/c1-14-13-25(12-10-24-14)18-3-2-4-19-17(18)9-11-26(19)29(27,28)16-7-5-15(6-8-16)20(21,22)23;/h2-9,11,14,24H,10,12-13H2,1H3;1H