[3-[[(2-methyl-3-oxidanylidene-butan-2-yl)amino]methyl]-7-(methylsulfonylamino)-2,4-dihydro-1,5-benzodioxepin-3-yl] ethanoate

Systemtic Name: [3-[[(2-methyl-3-oxidanylidene-butan-2-yl)amino]methyl]-7-(methylsulfonylamino)-2,4-dihydro-1,5-benzodioxepin-3-yl] ethanoate Openeye Name: [3-[[(1,1-dimethyl-2-oxo-propyl)amino]methyl]-7-(methanesulfonamido)-2,4-dihydro-1,5-benzodioxepin-3-yl] acetate CAS Name: acetic acid [7-(methanesulfonamido)-3-[[(2-methyl-3-oxobutan-2-yl)amino]methyl]-2,4-dihydro-1,5-benzodioxepin-3-yl] ester IUPAC Name: [7-(methanesulfonamido)-3-[[(2-methyl-3-oxobutan-2-yl)amino]methyl]-2,4-dihydro-1,5-benzodioxepin-3-yl] acetate Traditional Name: acetic acid [3-[[(2-keto-1,1-dimethyl-propyl)amino]methyl]-7-(methanesulfonamido)-2,4-dihydro-1,5-benzodioxepin-3-yl] ester Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)NCC1(COC2=C(C=C(C=C2)NS(=O)(=O)C)OC1)OC(=O)C

Isomeric SMILES

CC(=O)C(C)(C)NCC1(COC2=C(C=C(C=C2)NS(=O)(=O)C)OC1)OC(=O)C

InChI

InChI=1S/C18H26N2O7S/c1-12(21)17(3,4)19-9-18(27-13(2)22)10-25-15-7-6-14(20-28(5,23)24)8-16(15)26-11-18/h6-8,19-20H,9-11H2,1-5H3