[4-bromanyl-3-(2-piperidin-1-ylethoxy)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-bromanyl-3-(2-piperidin-1-ylethoxy)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-bromo-3-[2-(1-piperidyl)ethoxy]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-bromo-3-[2-(1-piperidinyl)ethoxy]phenyl] ester IUPAC Name: [4-bromo-3-(2-piperidin-1-ylethoxy)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-bromo-3-(2-piperidinoethoxy)phenyl] ester Formula: C20H24BrNO4S MolecularWeight: 454.37786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)Br)OCCN3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)Br)OCCN3CCCCC3

InChI

InChI=1S/C20H24BrNO4S/c1-16-5-8-18(9-6-16)27(23,24)26-17-7-10-19(21)20(15-17)25-14-13-22-11-3-2-4-12-22/h5-10,15H,2-4,11-14H2,1H3