2-[3-[butyl(methyl)amino]quinoxalin-2-yl]-2-(4-chlorophenyl)sulfonyl-ethanenitrile

Systemtic Name: 2-[3-[butyl(methyl)amino]quinoxalin-2-yl]-2-(4-chlorophenyl)sulfonyl-ethanenitrile Openeye Name: 2-[3-[butyl(methyl)amino]quinoxalin-2-yl]-2-(4-chlorophenyl)sulfonyl-acetonitrile CAS Name: 2-[3-[butyl(methyl)amino]-2-quinoxalinyl]-2-(4-chlorophenyl)sulfonylacetonitrile IUPAC Name: 2-[3-[butyl(methyl)amino]quinoxalin-2-yl]-2-(4-chlorophenyl)sulfonylacetonitrile Traditional Name: 2-[3-[butyl(methyl)amino]quinoxalin-2-yl]-2-(4-chlorophenyl)sulfonyl-acetonitrile Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN(C)C1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN4O2S/c1-3-4-13-26(2)21-20(24-17-7-5-6-8-18(17)25-21)19(14-23)29(27,28)16-11-9-15(22)10-12-16/h5-12,19H,3-4,13H2,1-2H3