N-(3-azanyloctan-2-yl)-1-oxidanylidene-2H-isoquinoline-5-sulfonamide

Systemtic Name: N-(3-azanyloctan-2-yl)-1-oxidanylidene-2H-isoquinoline-5-sulfonamide Openeye Name: N-(2-amino-1-methyl-heptyl)-1-oxo-2H-isoquinoline-5-sulfonamide CAS Name: N-(3-aminooctan-2-yl)-1-oxo-2H-isoquinoline-5-sulfonamide IUPAC Name: N-(3-aminooctan-2-yl)-1-oxo-2H-isoquinoline-5-sulfonamide Traditional Name: N-(2-amino-1-methyl-heptyl)-1-keto-2H-isoquinoline-5-sulfonamide Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S/c1-3-4-5-8-15(18)12(2)20-24(22,23)16-9-6-7-14-13(16)10-11-19-17(14)21/h6-7,9-12,15,20H,3-5,8,18H2,1-2H3,(H,19,21)