copper(1+); 1-methyl-3-methylimino-N-(1-oxidanylbutan-2-yl)-1H-isoindol-2-ide-4-sulfonamide

Systemtic Name: copper(1+); 1-methyl-3-methylimino-N-(1-oxidanylbutan-2-yl)-1H-isoindol-2-ide-4-sulfonamide Openeye Name: cuprous N-[1-(hydroxymethyl)propyl]-1-methyl-3-methylimino-isoindolin-2-ide-4-sulfonamide CAS Name: copper(1+); N-(1-hydroxybutan-2-yl)-1-methyl-3-methylimino-1H-isoindol-2-ide-4-sulfonamide IUPAC Name: copper(1+); N-(1-hydroxybutan-2-yl)-1-methyl-3-methylimino-1H-isoindol-2-ide-4-sulfonamide Traditional Name: cuprous 1-methyl-3-methylimino-N-(1-methylolpropyl)isoindolin-2-ide-4-sulfonamide Formula: C14H20CuN3O3S MolecularWeight: 373.9379

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NS(=O)(=O)C1=CC=CC2=C1C(=NC)[N-]C2C.[Cu+]

Isomeric SMILES

CCC(CO)NS(=O)(=O)C1=CC=CC2=C1C(=NC)[N-]C2C.[Cu+]

InChI

InChI=1S/C14H20N3O3S.Cu/c1-4-10(8-18)17-21(19,20)12-7-5-6-11-9(2)16-14(15-3)13(11)12;/h5-7,9-10,17-18H,4,8H2,1-3H3;/q-1;+1