methyl 2-[4-(tert-butylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(tert-butylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(tert-butylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(tert-butylamino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(tert-butylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(tert-butylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-18(2,3)19-16(21)13-9-11-20(12-10-13)26(23,24)15-8-6-5-7-14(15)17(22)25-4/h5-8,13H,9-12H2,1-4H3,(H,19,21)