N-[2-[[(E)-4-pyridin-4-ylbut-3-en-2-yl]amino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[[(E)-4-pyridin-4-ylbut-3-en-2-yl]amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[[(E)-1-methyl-3-(4-pyridyl)allyl]amino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[[(E)-4-pyridin-4-ylbut-3-en-2-yl]amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[[(E)-4-pyridin-4-ylbut-3-en-2-yl]amino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[[(E)-1-methyl-3-(4-pyridyl)allyl]amino]ethyl]isoquinoline-5-sulfonamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1=CC=NC=C1)NCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(/C=C/C1=CC=NC=C1)NCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H22N4O2S/c1-16(5-6-17-7-10-21-11-8-17)23-13-14-24-27(25,26)20-4-2-3-18-15-22-12-9-19(18)20/h2-12,15-16,23-24H,13-14H2,1H3/b6-5+