N-(2-azanylethyl)-N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-(2-azanylethyl)-N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-(2-aminoethyl)-N-[2-[[(E)-cinnamyl]amino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-(2-aminoethyl)-N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-(2-aminoethyl)-N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-(2-aminoethyl)-N-[2-[[(E)-cinnamyl]amino]ethyl]isoquinoline-5-sulfonamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCNCCN(CCN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CNCCN(CCN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C22H26N4O2S/c23-12-16-26(17-15-24-13-5-8-19-6-2-1-3-7-19)29(27,28)22-10-4-9-20-18-25-14-11-21(20)22/h1-11,14,18,24H,12-13,15-17,23H2/b8-5+