ethyl 4-[[1-(2-methoxy-5-methyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(2-methoxy-5-methyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(2-methoxy-5-methyl-phenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2-methoxy-5-methyl-phenyl)sulfonylisonipecotoyl]amino]benzoic acid ethyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)OC

InChI

InChI=1S/C23H28N2O6S/c1-4-31-23(27)18-6-8-19(9-7-18)24-22(26)17-11-13-25(14-12-17)32(28,29)21-15-16(2)5-10-20(21)30-3/h5-10,15,17H,4,11-14H2,1-3H3,(H,24,26)