2-methyl-4-oxidanylidene-2-phenyl-4-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]butanoic acid

Systemtic Name: 2-methyl-4-oxidanylidene-2-phenyl-4-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]butanoic acid Openeye Name: 2-methyl-4-oxo-2-phenyl-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoic acid CAS Name: 2-methyl-4-oxo-2-phenyl-4-[4-(1-pyrrolidinylsulfonyl)anilino]butanoic acid IUPAC Name: 2-methyl-4-oxo-2-phenyl-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoic acid Traditional Name: 4-keto-2-methyl-2-phenyl-4-(4-pyrrolidinosulfonylanilino)butyric acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H24N2O5S/c1-21(20(25)26,16-7-3-2-4-8-16)15-19(24)22-17-9-11-18(12-10-17)29(27,28)23-13-5-6-14-23/h2-4,7-12H,5-6,13-15H2,1H3,(H,22,24)(H,25,26)