1-(4-ethyl-3-piperidin-4-yloxy-phenyl)sulfonyl-5-fluoranyl-indole hydrochloride

Systemtic Name: 1-(4-ethyl-3-piperidin-4-yloxy-phenyl)sulfonyl-5-fluoranyl-indole hydrochloride Openeye Name: 1-[4-ethyl-3-(4-piperidyloxy)phenyl]sulfonyl-5-fluoro-indole hydrochloride CAS Name: 1-[4-ethyl-3-(4-piperidinyloxy)phenyl]sulfonyl-5-fluoroindole hydrochloride IUPAC Name: 1-(4-ethyl-3-piperidin-4-yloxyphenyl)sulfonyl-5-fluoroindole hydrochloride Traditional Name: 1-[4-ethyl-3-(4-piperidyloxy)phenyl]sulfonyl-5-fluoro-indole hydrochloride Formula: C21H24ClFN2O3S MolecularWeight: 438.943263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3)F)OC4CCNCC4.Cl

Isomeric SMILES

CCC1=C(C=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3)F)OC4CCNCC4.Cl

InChI

InChI=1S/C21H23FN2O3S.ClH/c1-2-15-3-5-19(14-21(15)27-18-7-10-23-11-8-18)28(25,26)24-12-9-16-13-17(22)4-6-20(16)24;/h3-6,9,12-14,18,23H,2,7-8,10-11H2,1H3;1H