[3-(1-methylpiperidin-4-yl)carbonylphenyl] thiophene-2-sulfonate

Systemtic Name: [3-(1-methylpiperidin-4-yl)carbonylphenyl] thiophene-2-sulfonate Openeye Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid [3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid [3-(1-methylisonipecotoyl)phenyl] ester Formula: C17H19NO4S2 MolecularWeight: 365.46706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H19NO4S2/c1-18-9-7-13(8-10-18)17(19)14-4-2-5-15(12-14)22-24(20,21)16-6-3-11-23-16/h2-6,11-13H,7-10H2,1H3