2-oxidanyl-2-[6-(4-sulfamoylphenyl)hexylsulfanylmethyl]butanedioic acid

Systemtic Name: 2-oxidanyl-2-[6-(4-sulfamoylphenyl)hexylsulfanylmethyl]butanedioic acid Openeye Name: 2-hydroxy-2-[6-(4-sulfamoylphenyl)hexylsulfanylmethyl]butanedioic acid CAS Name: 2-hydroxy-2-[[6-(4-sulfamoylphenyl)hexylthio]methyl]butanedioic acid IUPAC Name: 2-hydroxy-2-[6-(4-sulfamoylphenyl)hexylsulfanylmethyl]butanedioic acid Traditional Name: 2-hydroxy-2-[[6-(4-sulfamoylphenyl)hexylthio]methyl]succinic acid Formula: C17H25NO7S2 MolecularWeight: 419.5129

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCCSCC(CC(=O)O)(C(=O)O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCCCCCSCC(CC(=O)O)(C(=O)O)O)S(=O)(=O)N

InChI

InChI=1S/C17H25NO7S2/c18-27(24,25)14-8-6-13(7-9-14)5-3-1-2-4-10-26-12-17(23,16(21)22)11-15(19)20/h6-9,23H,1-5,10-12H2,(H,19,20)(H,21,22)(H2,18,24,25)