5-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-2-[(4-methylpiperazin-1-yl)methyl]indole

Systemtic Name: 5-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-2-[(4-methylpiperazin-1-yl)methyl]indole Openeye Name: 5-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-2-[(4-methylpiperazin-1-yl)methyl]indole CAS Name: 5-(ethylthio)-1-(4-fluorophenyl)sulfonyl-2-[(4-methyl-1-piperazinyl)methyl]indole IUPAC Name: 5-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-2-[(4-methylpiperazin-1-yl)methyl]indole Traditional Name: 5-(ethylthio)-1-(4-fluorophenyl)sulfonyl-2-[(4-methylpiperazino)methyl]indole Formula: C22H26FN3O2S2 MolecularWeight: 447.589143

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC2=C(C=C1)N(C(=C2)CN3CCN(CC3)C)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCSC1=CC2=C(C=C1)N(C(=C2)CN3CCN(CC3)C)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN3O2S2/c1-3-29-20-6-9-22-17(15-20)14-19(16-25-12-10-24(2)11-13-25)26(22)30(27,28)21-7-4-18(23)5-8-21/h4-9,14-15H,3,10-13,16H2,1-2H3