(E)-3-(4-bromophenyl)-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]prop-2-enamide

Systemtic Name: (E)-3-(4-bromophenyl)-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]prop-2-enamide Openeye Name: (E)-3-(4-bromophenyl)-N-[2-(5-isoquinolylsulfonylamino)ethyl]prop-2-enamide CAS Name: (E)-3-(4-bromophenyl)-N-[2-(5-isoquinolinylsulfonylamino)ethyl]-2-propenamide IUPAC Name: (E)-3-(4-bromophenyl)-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]prop-2-enamide Traditional Name: (E)-3-(4-bromophenyl)-N-[2-(5-isoquinolylsulfonylamino)ethyl]acrylamide Formula: C20H18BrN3O3S MolecularWeight: 460.34422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNC(=O)C=CC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O3S/c21-17-7-4-15(5-8-17)6-9-20(25)23-12-13-24-28(26,27)19-3-1-2-16-14-22-11-10-18(16)19/h1-11,14,24H,12-13H2,(H,23,25)/b9-6+