[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H30N2O7S MolecularWeight: 490.5692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C24H30N2O7S/c1-18(24(28)25-17-19-8-4-2-5-9-19)33-23(27)10-6-3-7-13-26-34(29,30)20-11-12-21-22(16-20)32-15-14-31-21/h2,4-5,8-9,11-12,16,18,26H,3,6-7,10,13-15,17H2,1H3,(H,25,28)