[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate

Systemtic Name: [1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Openeye Name: [2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]propanoic acid [1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]propionic acid [2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H35N3O6S MolecularWeight: 481.6055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C23H35N3O6S/c1-17(21(28)24-22(29)25-23(2,3)4)32-20(27)14-11-18-9-12-19(13-10-18)33(30,31)26-15-7-5-6-8-16-26/h9-10,12-13,17H,5-8,11,14-16H2,1-4H3,(H2,24,25,28,29)