ethyl 5-[4-methoxy-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-[4-methoxy-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-[3-[(4-benzyl-1-piperidyl)sulfonyl]-4-methoxy-phenyl]isoxazole-3-carboxylate CAS Name: 5-[4-methoxy-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4-benzylpiperidin-1-yl)sulfonyl-4-methoxyphenyl]-1,2-oxazole-3-carboxylate Traditional Name: 5-[3-(4-benzylpiperidino)sulfonyl-4-methoxy-phenyl]isoxazole-3-carboxylic acid ethyl ester Formula: C25H28N2O6S MolecularWeight: 484.56462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O6S/c1-3-32-25(28)21-17-23(33-26-21)20-9-10-22(31-2)24(16-20)34(29,30)27-13-11-19(12-14-27)15-18-7-5-4-6-8-18/h4-10,16-17,19H,3,11-15H2,1-2H3