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

Systemtic Name: 1-[2-[[(E)-3-(4-methylphenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: 1-[2-[[(E)-3-(p-tolyl)allyl]amino]ethyl]isoquinoline-5-sulfonamide CAS Name: 1-[2-[[(E)-3-(4-methylphenyl)prop-2-enyl]amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: 1-[2-[[(E)-3-(4-methylphenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Traditional Name: 1-[2-[[(E)-3-(p-tolyl)allyl]amino]ethyl]isoquinoline-5-sulfonamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CCNCCC2=NC=CC3=C2C=CC=C3S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/CNCCC2=NC=CC3=C2C=CC=C3S(=O)(=O)N

InChI

InChI=1S/C21H23N3O2S/c1-16-7-9-17(10-8-16)4-3-13-23-14-12-20-18-5-2-6-21(27(22,25)26)19(18)11-15-24-20/h2-11,15,23H,12-14H2,1H3,(H2,22,25,26)/b4-3+