methyl 2-[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(1,1-dimethylpropylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(2-methylbutan-2-ylamino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(tert-amylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCC(C)(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C19H28N2O5S/c1-5-19(2,3)20-17(22)14-10-12-21(13-11-14)27(24,25)16-9-7-6-8-15(16)18(23)26-4/h6-9,14H,5,10-13H2,1-4H3,(H,20,22)