[1-(4-fluorophenyl)sulfonyl-5-methylsulfanyl-indol-2-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [1-(4-fluorophenyl)sulfonyl-5-methylsulfanyl-indol-2-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [1-(4-fluorophenyl)sulfonyl-5-methylsulfanyl-indol-2-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [1-(4-fluorophenyl)sulfonyl-5-(methylthio)-2-indolyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [1-(4-fluorophenyl)sulfonyl-5-methylsulfanylindol-2-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [1-(4-fluorophenyl)sulfonyl-5-(methylthio)indol-2-yl]-(4-methylpiperazino)methanone Formula: C21H22FN3O3S2 MolecularWeight: 447.546083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O3S2/c1-23-9-11-24(12-10-23)21(26)20-14-15-13-17(29-2)5-8-19(15)25(20)30(27,28)18-6-3-16(22)4-7-18/h3-8,13-14H,9-12H2,1-2H3