butyl 4-[[1-(5-fluoranyl-2-methoxy-phenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[1-(5-fluoranyl-2-methoxy-phenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[1-(5-fluoro-2-methoxy-phenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-(5-fluoro-2-methoxy-phenyl)sulfonylnipecotoyl]amino]benzoic acid butyl ester Formula: C24H29FN2O6S MolecularWeight: 492.560263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C24H29FN2O6S/c1-3-4-14-33-24(29)17-7-10-20(11-8-17)26-23(28)18-6-5-13-27(16-18)34(30,31)22-15-19(25)9-12-21(22)32-2/h7-12,15,18H,3-6,13-14,16H2,1-2H3,(H,26,28)