2-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-methylsulfonyl-7-oxidanylidene-1,2-diazepan-1-yl]ethanoic acid

Systemtic Name: 2-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-methylsulfonyl-7-oxidanylidene-1,2-diazepan-1-yl]ethanoic acid Openeye Name: 2-[6-(1,3-dioxoisoindolin-2-yl)-2-methylsulfonyl-7-oxo-diazepan-1-yl]acetic acid CAS Name: 2-[6-(1,3-dioxo-2-isoindolyl)-2-methylsulfonyl-7-oxo-1-diazepanyl]acetic acid IUPAC Name: 2-[6-(1,3-dioxoisoindol-2-yl)-2-methylsulfonyl-7-oxodiazepan-1-yl]acetic acid Traditional Name: 2-(7-keto-2-mesyl-6-phthalimido-diazepan-1-yl)acetic acid Formula: C16H17N3O7S MolecularWeight: 395.38708

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C(=O)N1CC(=O)O)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CS(=O)(=O)N1CCCC(C(=O)N1CC(=O)O)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H17N3O7S/c1-27(25,26)18-8-4-7-12(16(24)17(18)9-13(20)21)19-14(22)10-5-2-3-6-11(10)15(19)23/h2-3,5-6,12H,4,7-9H2,1H3,(H,20,21)