[1-[(2-fluorophenyl)methyl]-3-(1-methylpiperidin-4-yl)indol-5-yl] benzenesulfonate

Systemtic Name: [1-[(2-fluorophenyl)methyl]-3-(1-methylpiperidin-4-yl)indol-5-yl] benzenesulfonate Openeye Name: [1-[(2-fluorophenyl)methyl]-3-(1-methyl-4-piperidyl)indol-5-yl] benzenesulfonate CAS Name: benzenesulfonic acid [1-[(2-fluorophenyl)methyl]-3-(1-methyl-4-piperidinyl)-5-indolyl] ester IUPAC Name: [1-[(2-fluorophenyl)methyl]-3-(1-methylpiperidin-4-yl)indol-5-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [1-(2-fluorobenzyl)-3-(1-methyl-4-piperidyl)indol-5-yl] ester Formula: C27H27FN2O3S MolecularWeight: 478.578283

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=CN(C3=C2C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5F

Isomeric SMILES

CN1CCC(CC1)C2=CN(C3=C2C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5F

InChI

InChI=1S/C27H27FN2O3S/c1-29-15-13-20(14-16-29)25-19-30(18-21-7-5-6-10-26(21)28)27-12-11-22(17-24(25)27)33-34(31,32)23-8-3-2-4-9-23/h2-12,17,19-20H,13-16,18H2,1H3