[3-(1-methylpiperidin-4-yl)-1-(phenylmethyl)indol-5-yl] benzenesulfonate

Systemtic Name: [3-(1-methylpiperidin-4-yl)-1-(phenylmethyl)indol-5-yl] benzenesulfonate Openeye Name: [1-benzyl-3-(1-methyl-4-piperidyl)indol-5-yl] benzenesulfonate CAS Name: benzenesulfonic acid [3-(1-methyl-4-piperidinyl)-1-(phenylmethyl)-5-indolyl] ester IUPAC Name: [1-benzyl-3-(1-methylpiperidin-4-yl)indol-5-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [1-benzyl-3-(1-methyl-4-piperidyl)indol-5-yl] ester Formula: C27H28N2O3S MolecularWeight: 460.58782

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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=C5

Isomeric SMILES

CN1CCC(CC1)C2=CN(C3=C2C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N2O3S/c1-28-16-14-22(15-17-28)26-20-29(19-21-8-4-2-5-9-21)27-13-12-23(18-25(26)27)32-33(30,31)24-10-6-3-7-11-24/h2-13,18,20,22H,14-17,19H2,1H3