[C-[2-[2-(cyclopropylmethyl)-6-methylsulfonyl-3-oxidanylidene-1H-isoindol-1-yl]ethanoylazaniumyl]carbonimidoyl]azanide

Systemtic Name: [C-[2-[2-(cyclopropylmethyl)-6-methylsulfonyl-3-oxidanylidene-1H-isoindol-1-yl]ethanoylazaniumyl]carbonimidoyl]azanide Openeye Name: [[[2-[2-(cyclopropylmethyl)-6-methylsulfonyl-3-oxo-isoindolin-1-yl]acetyl]ammonio]carbonimidoyl]azanide CAS Name: [[[2-[2-(cyclopropylmethyl)-6-methylsulfonyl-3-oxo-1H-isoindol-1-yl]-1-oxoethyl]ammonio]-iminomethyl]azanide IUPAC Name: [C-[[2-[2-(cyclopropylmethyl)-6-methylsulfonyl-3-oxo-1H-isoindol-1-yl]acetyl]azaniumyl]carbonimidoyl]azanide Traditional Name: [[[2-[2-(cyclopropylmethyl)-3-keto-6-mesyl-isoindolin-1-yl]acetyl]ammonio]carbonimidoyl]azanide Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)C(=O)N(C2CC(=O)[NH2+]C(=N)[NH-])CC3CC3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)C(=O)N(C2CC(=O)[NH2+]C(=N)[NH-])CC3CC3

InChI

InChI=1S/C16H20N4O4S/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/h4-6,9,13H,2-3,7-8H2,1H3,(H4,17,18,19,21)