N-[4-[[3-[(4-chlorophenyl)methylamino]quinoxalin-2-yl]-cyano-methyl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[[3-[(4-chlorophenyl)methylamino]quinoxalin-2-yl]-cyano-methyl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[[3-[(4-chlorophenyl)methylamino]quinoxalin-2-yl]-cyano-methyl]sulfonylphenyl]acetamide CAS Name: N-[4-[[3-[(4-chlorophenyl)methylamino]-2-quinoxalinyl]-cyanomethyl]sulfonylphenyl]acetamide IUPAC Name: N-[4-[[3-[(4-chlorophenyl)methylamino]quinoxalin-2-yl]-cyanomethyl]sulfonylphenyl]acetamide Traditional Name: N-[4-[[3-[(4-chlorobenzyl)amino]quinoxalin-2-yl]-cyano-methyl]sulfonylphenyl]acetamide Formula: C25H20ClN5O3S MolecularWeight: 505.976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H20ClN5O3S/c1-16(32)29-19-10-12-20(13-11-19)35(33,34)23(14-27)24-25(28-15-17-6-8-18(26)9-7-17)31-22-5-3-2-4-21(22)30-24/h2-13,23H,15H2,1H3,(H,28,31)(H,29,32)