N-(4-azanylbutyl)-1-chloranyl-isoquinoline-5-sulfonamide

Systemtic Name: N-(4-azanylbutyl)-1-chloranyl-isoquinoline-5-sulfonamide Openeye Name: N-(4-aminobutyl)-1-chloro-isoquinoline-5-sulfonamide CAS Name: N-(4-aminobutyl)-1-chloro-5-isoquinolinesulfonamide IUPAC Name: N-(4-aminobutyl)-1-chloroisoquinoline-5-sulfonamide Traditional Name: N-(4-aminobutyl)-1-chloro-isoquinoline-5-sulfonamide Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2Cl)C(=C1)S(=O)(=O)NCCCCN

Isomeric SMILES

C1=CC2=C(C=CN=C2Cl)C(=C1)S(=O)(=O)NCCCCN

InChI

InChI=1S/C13H16ClN3O2S/c14-13-11-4-3-5-12(10(11)6-9-16-13)20(18,19)17-8-2-1-7-15/h3-6,9,17H,1-2,7-8,15H2