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

Systemtic Name: N-[2-[[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[[(E)-3-(4-dimethylaminophenyl)allyl]amino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[[(E)-3-(4-dimethylaminophenyl)allyl]amino]ethyl]isoquinoline-5-sulfonamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CCNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S/c1-26(2)20-10-8-18(9-11-20)5-4-13-23-15-16-25-29(27,28)22-7-3-6-19-17-24-14-12-21(19)22/h3-12,14,17,23,25H,13,15-16H2,1-2H3/b5-4+