[3-[1-(pyrrolidin-2-ylmethyl)piperidin-4-yl]carbonylphenyl] 4-methoxybenzenesulfonate

Systemtic Name: [3-[1-(pyrrolidin-2-ylmethyl)piperidin-4-yl]carbonylphenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[1-(pyrrolidin-2-ylmethyl)piperidine-4-carbonyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[oxo-[1-(2-pyrrolidinylmethyl)-4-piperidinyl]methyl]phenyl] ester IUPAC Name: [3-[1-(pyrrolidin-2-ylmethyl)piperidine-4-carbonyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[1-(pyrrolidin-2-ylmethyl)isonipecotoyl]phenyl] ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(=O)C3CCN(CC3)CC4CCCN4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(=O)C3CCN(CC3)CC4CCCN4

InChI

InChI=1S/C24H30N2O5S/c1-30-21-7-9-23(10-8-21)32(28,29)31-22-6-2-4-19(16-22)24(27)18-11-14-26(15-12-18)17-20-5-3-13-25-20/h2,4,6-10,16,18,20,25H,3,5,11-15,17H2,1H3