4-[bis(2-methoxyethyl)sulfamoyl]-2-[(3-methylphenyl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[bis(2-methoxyethyl)sulfamoyl]-2-[(3-methylphenyl)methylsulfanyl]benzoic acid Openeye Name: 4-[bis(2-methoxyethyl)sulfamoyl]-2-(m-tolylmethylsulfanyl)benzoic acid CAS Name: 4-[bis(2-methoxyethyl)sulfamoyl]-2-[(3-methylphenyl)methylthio]benzoic acid IUPAC Name: 4-[bis(2-methoxyethyl)sulfamoyl]-2-[(3-methylphenyl)methylsulfanyl]benzoic acid Traditional Name: 4-[bis(2-methoxyethyl)sulfamoyl]-2-[(3-methylbenzyl)thio]benzoic acid Formula: C21H27NO6S2 MolecularWeight: 453.57218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=C(C=CC(=C2)S(=O)(=O)N(CCOC)CCOC)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=C(C=CC(=C2)S(=O)(=O)N(CCOC)CCOC)C(=O)O

InChI

InChI=1S/C21H27NO6S2/c1-16-5-4-6-17(13-16)15-29-20-14-18(7-8-19(20)21(23)24)30(25,26)22(9-11-27-2)10-12-28-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,23,24)