bis(azanyl)methylidene-[2-[2-(cyclopropylmethyl)-6-methylsulfonyl-3-oxidanylidene-1H-isoindol-1-yl]ethanoyl]azanium ethanoate

Systemtic Name: bis(azanyl)methylidene-[2-[2-(cyclopropylmethyl)-6-methylsulfonyl-3-oxidanylidene-1H-isoindol-1-yl]ethanoyl]azanium ethanoate Openeye Name: [2-[2-(cyclopropylmethyl)-6-methylsulfonyl-3-oxo-isoindolin-1-yl]acetyl]-(diaminomethylene)ammonium acetate CAS Name: [2-[2-(cyclopropylmethyl)-6-methylsulfonyl-3-oxo-1H-isoindol-1-yl]-1-oxoethyl]-(diaminomethylidene)ammonium acetate IUPAC Name: [2-[2-(cyclopropylmethyl)-6-methylsulfonyl-3-oxo-1H-isoindol-1-yl]acetyl]-(diaminomethylidene)azanium acetate Traditional Name: [2-[2-(cyclopropylmethyl)-3-keto-6-mesyl-isoindolin-1-yl]acetyl]-(diaminomethylene)ammonium acetate Formula: C18H24N4O6S MolecularWeight: 424.47136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CS(=O)(=O)C1=CC2=C(C=C1)C(=O)N(C2CC(=O)[NH+]=C(N)N)CC3CC3

Isomeric SMILES

CC(=O)[O-].CS(=O)(=O)C1=CC2=C(C=C1)C(=O)N(C2CC(=O)[NH+]=C(N)N)CC3CC3

InChI

InChI=1S/C16H20N4O4S.C2H4O2/c1-25(23,24)10-4-5-11-12(6-10)13(7-14(21)19-16(17)18)20(15(11)22)8-9-2-3-9;1-2(3)4/h4-6,9,13H,2-3,7-8H2,1H3,(H4,17,18,19,21);1H3,(H,3,4)