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

Systemtic Name: [3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-nitrobenzenesulfonate Openeye Name: [3-(1-methyl-4-piperidyl)-1H-indol-5-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [3-(1-methyl-4-piperidinyl)-1H-indol-5-yl] ester IUPAC Name: [3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [3-(1-methyl-4-piperidyl)-1H-indol-5-yl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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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)[N+](=O)[O-]

Isomeric SMILES

CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-22-10-8-14(9-11-22)19-13-21-20-7-4-16(12-18(19)20)28-29(26,27)17-5-2-15(3-6-17)23(24)25/h2-7,12-14,21H,8-11H2,1H3