N-(2-azanylhexan-2-yl)-1-oxidanylidene-2H-isoquinoline-5-sulfonamide

Systemtic Name: N-(2-azanylhexan-2-yl)-1-oxidanylidene-2H-isoquinoline-5-sulfonamide Openeye Name: N-(1-amino-1-methyl-pentyl)-1-oxo-2H-isoquinoline-5-sulfonamide CAS Name: N-(2-aminohexan-2-yl)-1-oxo-2H-isoquinoline-5-sulfonamide IUPAC Name: N-(2-aminohexan-2-yl)-1-oxo-2H-isoquinoline-5-sulfonamide Traditional Name: N-(1-amino-1-methyl-pentyl)-1-keto-2H-isoquinoline-5-sulfonamide Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(N)NS(=O)(=O)C1=CC=CC2=C1C=CNC2=O

Isomeric SMILES

CCCCC(C)(N)NS(=O)(=O)C1=CC=CC2=C1C=CNC2=O

InChI

InChI=1S/C15H21N3O3S/c1-3-4-9-15(2,16)18-22(20,21)13-7-5-6-12-11(13)8-10-17-14(12)19/h5-8,10,18H,3-4,9,16H2,1-2H3,(H,17,19)