ethyl 4-[4-[(2-methoxypyridin-3-yl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(2-methoxypyridin-3-yl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[(2-methoxy-3-pyridyl)methylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[[(2-methoxy-3-pyridinyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-methoxypyridin-3-yl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(2-methoxy-3-pyridyl)methylcarbamoyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C22H27N3O6S MolecularWeight: 461.53128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(N=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(N=CC=C3)OC

InChI

InChI=1S/C22H27N3O6S/c1-3-31-22(27)17-6-8-19(9-7-17)32(28,29)25-13-10-16(11-14-25)20(26)24-15-18-5-4-12-23-21(18)30-2/h4-9,12,16H,3,10-11,13-15H2,1-2H3,(H,24,26)