N-[2-[[(E)-3-(furan-2-yl)prop-2-enyl]-methyl-amino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[[(E)-3-(furan-2-yl)prop-2-enyl]-methyl-amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[[(E)-3-(2-furyl)allyl]-methyl-amino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[[(E)-3-(2-furanyl)prop-2-enyl]-methylamino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[[(E)-3-(furan-2-yl)prop-2-enyl]-methylamino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[[(E)-3-(2-furyl)allyl]-methyl-amino]ethyl]isoquinoline-5-sulfonamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2)CC=CC3=CC=CO3

Isomeric SMILES

CN(CCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2)C/C=C/C3=CC=CO3

InChI

InChI=1S/C19H21N3O3S/c1-22(12-3-6-17-7-4-14-25-17)13-11-21-26(23,24)19-8-2-5-16-15-20-10-9-18(16)19/h2-10,14-15,21H,11-13H2,1H3/b6-3+