5-[bis(2-methoxyethyl)sulfamoyl]-2-[(4-nitrophenyl)methylsulfanyl]benzoic acid

Systemtic Name: 5-[bis(2-methoxyethyl)sulfamoyl]-2-[(4-nitrophenyl)methylsulfanyl]benzoic acid Openeye Name: 5-[bis(2-methoxyethyl)sulfamoyl]-2-[(4-nitrophenyl)methylsulfanyl]benzoic acid CAS Name: 5-[bis(2-methoxyethyl)sulfamoyl]-2-[(4-nitrophenyl)methylthio]benzoic acid IUPAC Name: 5-[bis(2-methoxyethyl)sulfamoyl]-2-[(4-nitrophenyl)methylsulfanyl]benzoic acid Traditional Name: 5-[bis(2-methoxyethyl)sulfamoyl]-2-[(4-nitrobenzyl)thio]benzoic acid Formula: C20H24N2O8S2 MolecularWeight: 484.54316

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COCCN(CCOC)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H24N2O8S2/c1-29-11-9-21(10-12-30-2)32(27,28)17-7-8-19(18(13-17)20(23)24)31-14-15-3-5-16(6-4-15)22(25)26/h3-8,13H,9-12,14H2,1-2H3,(H,23,24)