[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-chloranylbenzenesulfonate

Systemtic Name: [3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-chloranylbenzenesulfonate Openeye Name: [3-(1-methyl-4-piperidyl)-1H-indol-5-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [3-(1-methyl-4-piperidinyl)-1H-indol-5-yl] ester IUPAC Name: [3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [3-(1-methyl-4-piperidyl)-1H-indol-5-yl] ester Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN2O3S/c1-23-10-8-14(9-11-23)19-13-22-20-7-4-16(12-18(19)20)26-27(24,25)17-5-2-15(21)3-6-17/h2-7,12-14,22H,8-11H2,1H3