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

Systemtic Name: N-(2-azanyl-3-methyl-butyl)-1-chloranyl-isoquinoline-5-sulfonamide Openeye Name: N-(2-amino-3-methyl-butyl)-1-chloro-isoquinoline-5-sulfonamide CAS Name: N-(2-amino-3-methylbutyl)-1-chloro-5-isoquinolinesulfonamide IUPAC Name: N-(2-amino-3-methylbutyl)-1-chloroisoquinoline-5-sulfonamide Traditional Name: N-(2-amino-3-methyl-butyl)-1-chloro-isoquinoline-5-sulfonamide Formula: C14H18ClN3O2S MolecularWeight: 327.82962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNS(=O)(=O)C1=CC=CC2=C1C=CN=C2Cl)N

Isomeric SMILES

CC(C)C(CNS(=O)(=O)C1=CC=CC2=C1C=CN=C2Cl)N

InChI

InChI=1S/C14H18ClN3O2S/c1-9(2)12(16)8-18-21(19,20)13-5-3-4-11-10(13)6-7-17-14(11)15/h3-7,9,12,18H,8,16H2,1-2H3