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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CCNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC1=CC=CC=C1/C=C/CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H23N3O2S/c1-17-6-2-3-7-18(17)9-5-12-22-14-15-24-27(25,26)21-10-4-8-19-16-23-13-11-20(19)21/h2-11,13,16,22,24H,12,14-15H2,1H3/b9-5+