1-methyl-3-(methylamino)-N-(1-oxidanylbutan-2-yl)-1H-isoindole-4-sulfonamide

Systemtic Name: 1-methyl-3-(methylamino)-N-(1-oxidanylbutan-2-yl)-1H-isoindole-4-sulfonamide Openeye Name: N-[1-(hydroxymethyl)propyl]-1-methyl-3-(methylamino)-1H-isoindole-4-sulfonamide CAS Name: N-(1-hydroxybutan-2-yl)-1-methyl-3-(methylamino)-1H-isoindole-4-sulfonamide IUPAC Name: N-(1-hydroxybutan-2-yl)-1-methyl-3-(methylamino)-1H-isoindole-4-sulfonamide Traditional Name: 1-methyl-3-(methylamino)-N-(1-methylolpropyl)-1H-isoindole-4-sulfonamide Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NS(=O)(=O)C1=CC=CC2=C1C(=NC2C)NC

Isomeric SMILES

CCC(CO)NS(=O)(=O)C1=CC=CC2=C1C(=NC2C)NC

InChI

InChI=1S/C14H21N3O3S/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,(H,15,16)