2-(butylamino)-6-(3,5-dimethylphenyl)sulfonyl-benzenecarbonitrile

Systemtic Name: 2-(butylamino)-6-(3,5-dimethylphenyl)sulfonyl-benzenecarbonitrile Openeye Name: 2-(butylamino)-6-(3,5-dimethylphenyl)sulfonyl-benzonitrile CAS Name: 2-(butylamino)-6-(3,5-dimethylphenyl)sulfonylbenzonitrile IUPAC Name: 2-(butylamino)-6-(3,5-dimethylphenyl)sulfonylbenzonitrile Traditional Name: 2-(butylamino)-6-(3,5-dimethylphenyl)sulfonyl-benzonitrile Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC=C1)S(=O)(=O)C2=CC(=CC(=C2)C)C)C#N

Isomeric SMILES

CCCCNC1=C(C(=CC=C1)S(=O)(=O)C2=CC(=CC(=C2)C)C)C#N

InChI

InChI=1S/C19H22N2O2S/c1-4-5-9-21-18-7-6-8-19(17(18)13-20)24(22,23)16-11-14(2)10-15(3)12-16/h6-8,10-12,21H,4-5,9H2,1-3H3