5-(2-diethylaminoethylsulfonyl)-2-methyl-benzoic acid

Systemtic Name: 5-(2-diethylaminoethylsulfonyl)-2-methyl-benzoic acid Openeye Name: 5-(2-diethylaminoethylsulfonyl)-2-methyl-benzoic acid CAS Name: 5-(2-diethylaminoethylsulfonyl)-2-methylbenzoic acid IUPAC Name: 5-(2-diethylaminoethylsulfonyl)-2-methylbenzoic acid Traditional Name: 5-(2-diethylaminoethylsulfonyl)-2-methyl-benzoic acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)O

Isomeric SMILES

CCN(CC)CCS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)O

InChI

InChI=1S/C14H21NO4S/c1-4-15(5-2)8-9-20(18,19)12-7-6-11(3)13(10-12)14(16)17/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17)