[3-(1-methylpiperidin-4-yl)carbonylphenyl] 4-nitrobenzenesulfonate

Systemtic Name: [3-(1-methylpiperidin-4-yl)carbonylphenyl] 4-nitrobenzenesulfonate Openeye Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [3-(1-methylisonipecotoyl)phenyl] ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6S/c1-20-11-9-14(10-12-20)19(22)15-3-2-4-17(13-15)27-28(25,26)18-7-5-16(6-8-18)21(23)24/h2-8,13-14H,9-12H2,1H3