[3-(1-methylpiperidin-4-yl)carbonylphenyl] pyridine-3-sulfonate

Systemtic Name: [3-(1-methylpiperidin-4-yl)carbonylphenyl] pyridine-3-sulfonate Openeye Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] pyridine-3-sulfonate CAS Name: 3-pyridinesulfonic acid [3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] pyridine-3-sulfonate Traditional Name: pyridine-3-sulfonic acid [3-(1-methylisonipecotoyl)phenyl] ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H20N2O4S/c1-20-10-7-14(8-11-20)18(21)15-4-2-5-16(12-15)24-25(22,23)17-6-3-9-19-13-17/h2-6,9,12-14H,7-8,10-11H2,1H3