N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-propyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-propyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-propyl-isoquinoline-5-sulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-propyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-propylisoquinoline-5-sulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-propyl-isoquinoline-5-sulfonamide Formula: C20H27N3O3S MolecularWeight: 389.51168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N1CCCCCC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCN(CC(=O)N1CCCCCC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H27N3O3S/c1-2-12-23(16-20(24)22-13-5-3-4-6-14-22)27(25,26)19-9-7-8-17-15-21-11-10-18(17)19/h7-11,15H,2-6,12-14,16H2,1H3