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

Systemtic Name: [3-(1-methylpiperidin-4-yl)carbonylphenyl] pyridine-4-sulfonate Openeye Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] pyridine-4-sulfonate CAS Name: 4-pyridinesulfonic acid [3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] pyridine-4-sulfonate Traditional Name: pyridine-4-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=CC=NC=C3

Isomeric SMILES

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

InChI

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