[2-[1-methylsulfonyloxy-2,7-bis(oxidanylidene)-5-(2-oxidanylidenepropyl)azepan-4-yl]ethanoylamino] methanesulfonate

Systemtic Name: [2-[1-methylsulfonyloxy-2,7-bis(oxidanylidene)-5-(2-oxidanylidenepropyl)azepan-4-yl]ethanoylamino] methanesulfonate Openeye Name: [[2-(5-acetonyl-1-methylsulfonyloxy-2,7-dioxo-azepan-4-yl)acetyl]amino] methanesulfonate CAS Name: methanesulfonic acid [[2-[1-methylsulfonyloxy-2,7-dioxo-5-(2-oxopropyl)-4-azepanyl]-1-oxoethyl]amino] ester IUPAC Name: [[2-[1-methylsulfonyloxy-2,7-dioxo-5-(2-oxopropyl)azepan-4-yl]acetyl]amino] methanesulfonate Traditional Name: methanesulfonic acid [[2-(5-acetonyl-2,7-diketo-1-methylsulfonyloxy-azepan-4-yl)acetyl]amino] ester Formula: C13H20N2O10S2 MolecularWeight: 428.4353

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1CC(=O)N(C(=O)CC1CC(=O)NOS(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

CC(=O)CC1CC(=O)N(C(=O)CC1CC(=O)NOS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C13H20N2O10S2/c1-8(16)4-9-6-12(18)15(25-27(3,22)23)13(19)7-10(9)5-11(17)14-24-26(2,20)21/h9-10H,4-7H2,1-3H3,(H,14,17)