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

Systemtic Name: N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide Openeye Name: N-[3-[[(E)-3-(4-chlorophenyl)allyl]amino]phenyl]isoquinoline-5-sulfonamide CAS Name: N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]-5-isoquinolinesulfonamide IUPAC Name: N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide Traditional Name: N-[3-[[(E)-3-(4-chlorophenyl)allyl]amino]phenyl]isoquinoline-5-sulfonamide Formula: C24H20ClN3O2S MolecularWeight: 449.9525

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)NCC=CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)NC/C=C/C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H20ClN3O2S/c25-20-11-9-18(10-12-20)4-3-14-27-21-6-2-7-22(16-21)28-31(29,30)24-8-1-5-19-17-26-15-13-23(19)24/h1-13,15-17,27-28H,14H2/b4-3+