3,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: 3,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 3,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 3,4-dimethyl-5-(1-pyrrolidinylsulfonyl)benzoate IUPAC Name: 3,4-dimethyl-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3,4-dimethyl-5-pyrrolidinosulfonyl-benzoate Formula: C13H16NO4S- MolecularWeight: 282.33544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-9-7-11(13(15)16)8-12(10(9)2)19(17,18)14-5-3-4-6-14/h7-8H,3-6H2,1-2H3,(H,15,16)/p-1