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

Systemtic Name: N-[2-[[(E)-1-(4-bromophenyl)-3-phenyl-prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[[(E)-1-(4-bromophenyl)-3-phenyl-allyl]amino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[[(E)-1-(4-bromophenyl)-3-phenylprop-2-enyl]amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[[(E)-1-(4-bromophenyl)-3-phenylprop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[[(E)-1-(4-bromophenyl)-3-phenyl-allyl]amino]ethyl]isoquinoline-5-sulfonamide Formula: C26H24BrN3O2S MolecularWeight: 522.45666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(C2=CC=C(C=C2)Br)NCCNS(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(C2=CC=C(C=C2)Br)NCCNS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C26H24BrN3O2S/c27-23-12-10-21(11-13-23)25(14-9-20-5-2-1-3-6-20)29-17-18-30-33(31,32)26-8-4-7-22-19-28-16-15-24(22)26/h1-16,19,25,29-30H,17-18H2/b14-9+