N-(2-azanyl-3-methyl-butyl)-1-oxidanylidene-2H-isoquinoline-5-sulfonamide

Systemtic Name: N-(2-azanyl-3-methyl-butyl)-1-oxidanylidene-2H-isoquinoline-5-sulfonamide Openeye Name: N-(2-amino-3-methyl-butyl)-1-oxo-2H-isoquinoline-5-sulfonamide CAS Name: N-(2-amino-3-methylbutyl)-1-oxo-2H-isoquinoline-5-sulfonamide IUPAC Name: N-(2-amino-3-methylbutyl)-1-oxo-2H-isoquinoline-5-sulfonamide Traditional Name: N-(2-amino-3-methyl-butyl)-1-keto-2H-isoquinoline-5-sulfonamide Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNS(=O)(=O)C1=CC=CC2=C1C=CNC2=O)N

Isomeric SMILES

CC(C)C(CNS(=O)(=O)C1=CC=CC2=C1C=CNC2=O)N

InChI

InChI=1S/C14H19N3O3S/c1-9(2)12(15)8-17-21(19,20)13-5-3-4-11-10(13)6-7-16-14(11)18/h3-7,9,12,17H,8,15H2,1-2H3,(H,16,18)