1-[2-[[(E)-3-[4-(2-methoxyethoxymethoxy)phenyl]prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: 1-[2-[[(E)-3-[4-(2-methoxyethoxymethoxy)phenyl]prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: 1-[2-[[(E)-3-[4-(2-methoxyethoxymethoxy)phenyl]allyl]amino]ethyl]isoquinoline-5-sulfonamide CAS Name: 1-[2-[[(E)-3-[4-(2-methoxyethoxymethoxy)phenyl]prop-2-enyl]amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: 1-[2-[[(E)-3-[4-(2-methoxyethoxymethoxy)phenyl]prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Traditional Name: 1-[2-[[(E)-3-[4-(2-methoxyethoxymethoxy)phenyl]allyl]amino]ethyl]isoquinoline-5-sulfonamide Formula: C24H29N3O5S MolecularWeight: 471.56916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1=CC=C(C=C1)C=CCNCCC2=NC=CC3=C2C=CC=C3S(=O)(=O)N

Isomeric SMILES

COCCOCOC1=CC=C(C=C1)/C=C/CNCCC2=NC=CC3=C2C=CC=C3S(=O)(=O)N

InChI

InChI=1S/C24H29N3O5S/c1-30-16-17-31-18-32-20-9-7-19(8-10-20)4-3-13-26-14-12-23-21-5-2-6-24(33(25,28)29)22(21)11-15-27-23/h2-11,15,26H,12-14,16-18H2,1H3,(H2,25,28,29)/b4-3+