5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-4-oxidanylidene-2-phenacyl-pentanenitrile

Systemtic Name: 5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-4-oxidanylidene-2-phenacyl-pentanenitrile Openeye Name: 4-oxo-2-phenacyl-5-[1-(p-tolylsulfonyl)pyrrolidin-3-yl]pentanenitrile CAS Name: 5-[1-(4-methylphenyl)sulfonyl-3-pyrrolidinyl]-4-oxo-2-phenacylpentanenitrile IUPAC Name: 5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-4-oxo-2-phenacylpentanenitrile Traditional Name: 4-keto-2-phenacyl-5-(1-tosylpyrrolidin-3-yl)valeronitrile Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)CC(=O)CC(CC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)CC(=O)CC(CC(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C24H26N2O4S/c1-18-7-9-23(10-8-18)31(29,30)26-12-11-19(17-26)13-22(27)14-20(16-25)15-24(28)21-5-3-2-4-6-21/h2-10,19-20H,11-15,17H2,1H3