N-(2-oxidanylidenedecyl)-N-propyl-isoquinoline-5-sulfonamide

Systemtic Name: N-(2-oxidanylidenedecyl)-N-propyl-isoquinoline-5-sulfonamide Openeye Name: N-(2-oxodecyl)-N-propyl-isoquinoline-5-sulfonamide CAS Name: N-(2-oxodecyl)-N-propyl-5-isoquinolinesulfonamide IUPAC Name: N-(2-oxodecyl)-N-propylisoquinoline-5-sulfonamide Traditional Name: N-(2-ketodecyl)-N-propyl-isoquinoline-5-sulfonamide Formula: C22H32N2O3S MolecularWeight: 404.56608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)CN(CCC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CCCCCCCCC(=O)CN(CCC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C22H32N2O3S/c1-3-5-6-7-8-9-12-20(25)18-24(16-4-2)28(26,27)22-13-10-11-19-17-23-15-14-21(19)22/h10-11,13-15,17H,3-9,12,16,18H2,1-2H3