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

Systemtic Name: 1-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfinamide Openeye Name: 1-[2-[[(E)-3-(4-bromophenyl)allyl]amino]ethyl]isoquinoline-5-sulfinamide CAS Name: 1-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]-5-isoquinolinesulfinamide IUPAC Name: 1-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfinamide Traditional Name: 1-[2-[[(E)-3-(4-bromophenyl)allyl]amino]ethyl]isoquinoline-5-sulfinamide Formula: C20H20BrN3OS MolecularWeight: 430.3613

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3OS/c21-16-8-6-15(7-9-16)3-2-12-23-13-11-19-17-4-1-5-20(26(22)25)18(17)10-14-24-19/h1-10,14,23H,11-13,22H2/b3-2+