1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methyl-phenyl]sulfonyl-5-fluoranyl-indole dihydrochloride

Systemtic Name: 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methyl-phenyl]sulfonyl-5-fluoranyl-indole dihydrochloride Openeye Name: 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methyl-phenyl]sulfonyl-5-fluoro-indole dihydrochloride CAS Name: 1-[3-[(4-ethyl-1-piperazinyl)methyl]-4-methylphenyl]sulfonyl-5-fluoroindole dihydrochloride IUPAC Name: 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methylphenyl]sulfonyl-5-fluoroindole dihydrochloride Traditional Name: 1-[3-[(4-ethylpiperazino)methyl]-4-methyl-phenyl]sulfonyl-5-fluoro-indole dihydrochloride Formula: C22H28Cl2FN3O2S MolecularWeight: 488.446023

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C=CC(=C2)S(=O)(=O)N3C=CC4=C3C=CC(=C4)F)C.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C=CC(=C2)S(=O)(=O)N3C=CC4=C3C=CC(=C4)F)C.Cl.Cl

InChI

InChI=1S/C22H26FN3O2S.2ClH/c1-3-24-10-12-25(13-11-24)16-19-15-21(6-4-17(19)2)29(27,28)26-9-8-18-14-20(23)5-7-22(18)26;;/h4-9,14-15H,3,10-13,16H2,1-2H3;2*1H