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

Systemtic Name: 3-bromanyl-1-(4-ethyl-3-piperidin-4-yloxy-phenyl)sulfonyl-5-fluoranyl-indole hydrochloride Openeye Name: 3-bromo-1-[4-ethyl-3-(4-piperidyloxy)phenyl]sulfonyl-5-fluoro-indole hydrochloride CAS Name: 3-bromo-1-[4-ethyl-3-(4-piperidinyloxy)phenyl]sulfonyl-5-fluoroindole hydrochloride IUPAC Name: 3-bromo-1-(4-ethyl-3-piperidin-4-yloxyphenyl)sulfonyl-5-fluoroindole hydrochloride Traditional Name: 3-bromo-1-[4-ethyl-3-(4-piperidyloxy)phenyl]sulfonyl-5-fluoro-indole hydrochloride Formula: C21H23BrClFN2O3S MolecularWeight: 517.839323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrFN2O3S.ClH/c1-2-14-3-5-17(12-21(14)28-16-7-9-24-10-8-16)29(26,27)25-13-19(22)18-11-15(23)4-6-20(18)25;/h3-6,11-13,16,24H,2,7-10H2,1H3;1H