4-[4-butyl-3-methyl-2,5-bis(oxidanylidene)-3-phenyl-pyrrolidin-1-yl]benzenesulfonamide

Systemtic Name: 4-[4-butyl-3-methyl-2,5-bis(oxidanylidene)-3-phenyl-pyrrolidin-1-yl]benzenesulfonamide Openeye Name: 4-(4-butyl-3-methyl-2,5-dioxo-3-phenyl-pyrrolidin-1-yl)benzenesulfonamide CAS Name: 4-(4-butyl-3-methyl-2,5-dioxo-3-phenyl-1-pyrrolidinyl)benzenesulfonamide IUPAC Name: 4-(4-butyl-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)benzenesulfonamide Traditional Name: 4-(4-butyl-2,5-diketo-3-methyl-3-phenyl-pyrrolidino)benzenesulfonamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N(C(=O)C1(C)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCCCC1C(=O)N(C(=O)C1(C)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H24N2O4S/c1-3-4-10-18-19(24)23(16-11-13-17(14-12-16)28(22,26)27)20(25)21(18,2)15-8-6-5-7-9-15/h5-9,11-14,18H,3-4,10H2,1-2H3,(H2,22,26,27)