4-[bis(2-methylsulfonyloxyethyl)amino]-2-methyl-benzoic acid

Systemtic Name: 4-[bis(2-methylsulfonyloxyethyl)amino]-2-methyl-benzoic acid Openeye Name: 4-[bis(2-methylsulfonyloxyethyl)amino]-2-methyl-benzoic acid CAS Name: 4-[bis(2-methylsulfonyloxyethyl)amino]-2-methylbenzoic acid IUPAC Name: 4-[bis(2-methylsulfonyloxyethyl)amino]-2-methylbenzoic acid Traditional Name: 4-[bis(2-methylsulfonyloxyethyl)amino]-2-methyl-benzoic acid Formula: C14H21NO8S2 MolecularWeight: 395.44844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C14H21NO8S2/c1-11-10-12(4-5-13(11)14(16)17)15(6-8-22-24(2,18)19)7-9-23-25(3,20)21/h4-5,10H,6-9H2,1-3H3,(H,16,17)