[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H27N3O6S MolecularWeight: 425.49918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C19H27N3O6S/c1-14(2)20-19(25)21-17(23)13-28-18(24)15-8-7-9-16(12-15)29(26,27)22-10-5-3-4-6-11-22/h7-9,12,14H,3-6,10-11,13H2,1-2H3,(H2,20,21,23,25)