N-(3-azanylpropyl)-N-[3-(3-methylsulfonylphenyl)propyl]isoquinoline-5-sulfonamide

Systemtic Name: N-(3-azanylpropyl)-N-[3-(3-methylsulfonylphenyl)propyl]isoquinoline-5-sulfonamide Openeye Name: N-(3-aminopropyl)-N-[3-(3-methylsulfonylphenyl)propyl]isoquinoline-5-sulfonamide CAS Name: N-(3-aminopropyl)-N-[3-(3-methylsulfonylphenyl)propyl]-5-isoquinolinesulfonamide IUPAC Name: N-(3-aminopropyl)-N-[3-(3-methylsulfonylphenyl)propyl]isoquinoline-5-sulfonamide Traditional Name: N-(3-aminopropyl)-N-[3-(3-mesylphenyl)propyl]isoquinoline-5-sulfonamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)CCCN(CCCN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)CCCN(CCCN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C22H27N3O4S2/c1-30(26,27)20-9-2-6-18(16-20)7-4-14-25(15-5-12-23)31(28,29)22-10-3-8-19-17-24-13-11-21(19)22/h2-3,6,8-11,13,16-17H,4-5,7,12,14-15,23H2,1H3