2-[4-[3-bromanyl-4-chloranyl-5-(1-fluoranylpropyl)phenyl]piperazin-1-yl]ethyl methanesulfonate

Systemtic Name: 2-[4-[3-bromanyl-4-chloranyl-5-(1-fluoranylpropyl)phenyl]piperazin-1-yl]ethyl methanesulfonate Openeye Name: 2-[4-[3-bromo-4-chloro-5-(1-fluoropropyl)phenyl]piperazin-1-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-[3-bromo-4-chloro-5-(1-fluoropropyl)phenyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[3-bromo-4-chloro-5-(1-fluoropropyl)phenyl]piperazin-1-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-[3-bromo-4-chloro-5-(1-fluoropropyl)phenyl]piperazino]ethyl ester Formula: C16H23BrClFN2O3S MolecularWeight: 457.785823

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC(=C1Cl)Br)N2CCN(CC2)CCOS(=O)(=O)C)F

Isomeric SMILES

CCC(C1=CC(=CC(=C1Cl)Br)N2CCN(CC2)CCOS(=O)(=O)C)F

InChI

InChI=1S/C16H23BrClFN2O3S/c1-3-15(19)13-10-12(11-14(17)16(13)18)21-6-4-20(5-7-21)8-9-24-25(2,22)23/h10-11,15H,3-9H2,1-2H3