[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl] 2-methyl-5-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 2-methyl-5-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 2-methyl-5-(2-methylpiperidino)sulfonyl-benzoic acid [2-keto-2-(tetrahydrofurfurylamino)ethyl] ester Formula: C21H30N2O6S MolecularWeight: 438.5377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)NCC3CCCO3

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)NCC3CCCO3

InChI

InChI=1S/C21H30N2O6S/c1-15-8-9-18(30(26,27)23-10-4-3-6-16(23)2)12-19(15)21(25)29-14-20(24)22-13-17-7-5-11-28-17/h8-9,12,16-17H,3-7,10-11,13-14H2,1-2H3,(H,22,24)