4-oxidanylidene-2-(phenylmethyl)-4-(3-pyrrolidin-1-ylsulfonylphenyl)butanoic acid

Systemtic Name: 4-oxidanylidene-2-(phenylmethyl)-4-(3-pyrrolidin-1-ylsulfonylphenyl)butanoic acid Openeye Name: 2-benzyl-4-oxo-4-(3-pyrrolidin-1-ylsulfonylphenyl)butanoic acid CAS Name: 4-oxo-2-(phenylmethyl)-4-[3-(1-pyrrolidinylsulfonyl)phenyl]butanoic acid IUPAC Name: 2-benzyl-4-oxo-4-(3-pyrrolidin-1-ylsulfonylphenyl)butanoic acid Traditional Name: 2-benzyl-4-keto-4-(3-pyrrolidinosulfonylphenyl)butyric acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)CC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)CC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H23NO5S/c23-20(15-18(21(24)25)13-16-7-2-1-3-8-16)17-9-6-10-19(14-17)28(26,27)22-11-4-5-12-22/h1-3,6-10,14,18H,4-5,11-13,15H2,(H,24,25)