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

Systemtic Name: N-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfinamide Openeye Name: N-[2-[[(E)-3-(4-bromophenyl)allyl]amino]ethyl]isoquinoline-5-sulfinamide CAS Name: N-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]-5-isoquinolinesulfinamide IUPAC Name: N-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfinamide Traditional Name: N-[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=C2)C(=C1)S(=O)NCCNCC=CC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)NCCNC/C=C/C3=CC=C(C=C3)Br

InChI

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