3-[[1-(3-methylbutanoyl)pyrrolidin-2-yl]methylsulfonyl]benzoic acid

Systemtic Name: 3-[[1-(3-methylbutanoyl)pyrrolidin-2-yl]methylsulfonyl]benzoic acid Openeye Name: 3-[[1-(3-methylbutanoyl)pyrrolidin-2-yl]methylsulfonyl]benzoic acid CAS Name: 3-[[1-(3-methyl-1-oxobutyl)-2-pyrrolidinyl]methylsulfonyl]benzoic acid IUPAC Name: 3-[[1-(3-methylbutanoyl)pyrrolidin-2-yl]methylsulfonyl]benzoic acid Traditional Name: 3-[(1-isovalerylpyrrolidin-2-yl)methylsulfonyl]benzoic acid Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCCC1CS(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)CC(=O)N1CCCC1CS(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C17H23NO5S/c1-12(2)9-16(19)18-8-4-6-14(18)11-24(22,23)15-7-3-5-13(10-15)17(20)21/h3,5,7,10,12,14H,4,6,8-9,11H2,1-2H3,(H,20,21)