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

Systemtic Name: N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]pyridin-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-[3-[[(E)-3-(4-chlorophenyl)allyl]amino]-2-pyridyl]isoquinoline-5-sulfonamide CAS Name: N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]-2-pyridinyl]-5-isoquinolinesulfonamide IUPAC Name: N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]pyridin-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[3-[[(E)-3-(4-chlorophenyl)allyl]amino]-2-pyridyl]isoquinoline-5-sulfonamide Formula: C23H19ClN4O2S MolecularWeight: 450.94056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NC3=C(C=CC=N3)NCC=CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NC3=C(C=CC=N3)NC/C=C/C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H19ClN4O2S/c24-19-10-8-17(9-11-19)4-2-13-26-21-6-3-14-27-23(21)28-31(29,30)22-7-1-5-18-16-25-15-12-20(18)22/h1-12,14-16,26H,13H2,(H,27,28)/b4-2+