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

Systemtic Name: 1-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: 1-[2-[[(E)-3-(4-bromophenyl)allyl]amino]ethyl]isoquinoline-5-sulfonamide CAS Name: 1-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: 1-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Traditional Name: 1-[2-[[(E)-3-(4-bromophenyl)allyl]amino]ethyl]isoquinoline-5-sulfonamide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2CCNCC=CC3=CC=C(C=C3)Br)C(=C1)S(=O)(=O)N

Isomeric SMILES

C1=CC2=C(C=CN=C2CCNC/C=C/C3=CC=C(C=C3)Br)C(=C1)S(=O)(=O)N

InChI

InChI=1S/C20H20BrN3O2S/c21-16-8-6-15(7-9-16)3-2-12-23-13-11-19-17-4-1-5-20(27(22,25)26)18(17)10-14-24-19/h1-10,14,23H,11-13H2,(H2,22,25,26)/b3-2+