3-(butylamino)-2-(4-methylphenyl)sulfonyl-3-phenylazanyl-prop-2-enenitrile

Systemtic Name: 3-(butylamino)-2-(4-methylphenyl)sulfonyl-3-phenylazanyl-prop-2-enenitrile Openeye Name: 3-anilino-3-(butylamino)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-anilino-3-(butylamino)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-anilino-3-(butylamino)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-anilino-3-(butylamino)-2-tosyl-acrylonitrile Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=C(C#N)S(=O)(=O)C1=CC=C(C=C1)C)NC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=C(C#N)S(=O)(=O)C1=CC=C(C=C1)C)NC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O2S/c1-3-4-14-22-20(23-17-8-6-5-7-9-17)19(15-21)26(24,25)18-12-10-16(2)11-13-18/h5-13,22-23H,3-4,14H2,1-2H3