4-methyl-2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: 4-methyl-2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 2-hydroxy-4-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-hydroxy-4-methyl-5-(1-pyrrolidinylsulfonyl)benzoate IUPAC Name: 2-hydroxy-4-methyl-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-hydroxy-4-methyl-5-pyrrolidinosulfonyl-benzoate Formula: C12H14NO5S- MolecularWeight: 284.30826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(=O)[O-])S(=O)(=O)N2CCCC2

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(=O)[O-])S(=O)(=O)N2CCCC2

InChI

InChI=1S/C12H15NO5S/c1-8-6-10(14)9(12(15)16)7-11(8)19(17,18)13-4-2-3-5-13/h6-7,14H,2-5H2,1H3,(H,15,16)/p-1