(E)-3-(1-butyl-2H-quinolin-4-yl)-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(1-butyl-2H-quinolin-4-yl)-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(1-butyl-2H-quinolin-4-yl)-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(1-butyl-2H-quinolin-4-yl)-2-(4-chlorophenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(1-butyl-2H-quinolin-4-yl)-2-(4-chlorophenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(1-butyl-2H-quinolin-4-yl)-2-(4-chlorophenyl)sulfonyl-acrylonitrile Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC=C(C2=CC=CC=C21)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1CC=C(C2=CC=CC=C21)/C=C(\C#N)/S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClN2O2S/c1-2-3-13-25-14-12-17(21-6-4-5-7-22(21)25)15-20(16-24)28(26,27)19-10-8-18(23)9-11-19/h4-12,15H,2-3,13-14H2,1H3/b20-15+