4-(2,5-dimethylphenyl)-4-oxidanylidene-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: 4-(2,5-dimethylphenyl)-4-oxidanylidene-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: 4-(2,5-dimethylphenyl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: 4-(2,5-dimethylphenyl)-4-oxo-N-[3-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(2,5-dimethylphenyl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-N-(3-pyrrolidinosulfonylphenyl)butyramide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H26N2O4S/c1-16-8-9-17(2)20(14-16)21(25)10-11-22(26)23-18-6-5-7-19(15-18)29(27,28)24-12-3-4-13-24/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,23,26)