(4-methylpiperazin-1-yl)-[5-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-indol-2-yl]methanone

Systemtic Name: (4-methylpiperazin-1-yl)-[5-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-indol-2-yl]methanone Openeye Name: (4-methylpiperazin-1-yl)-[5-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-indol-2-yl]methanone CAS Name: (4-methyl-1-piperazinyl)-[5-(methylthio)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2-indolyl]methanone IUPAC Name: (4-methylpiperazin-1-yl)-[5-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]sulfonylindol-2-yl]methanone Traditional Name: (4-methylpiperazino)-[5-(methylthio)-1-[3-(trifluoromethyl)phenyl]sulfonyl-indol-2-yl]methanone Formula: C22H22F3N3O3S2 MolecularWeight: 497.55359

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC3=C(N2S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C=CC(=C3)SC

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC3=C(N2S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C=CC(=C3)SC

InChI

InChI=1S/C22H22F3N3O3S2/c1-26-8-10-27(11-9-26)21(29)20-13-15-12-17(32-2)6-7-19(15)28(20)33(30,31)18-5-3-4-16(14-18)22(23,24)25/h3-7,12-14H,8-11H2,1-2H3