5-[(4-chloranyl-3-sulfamoyl-phenyl)sulfonyl-methyl-amino]-4-methyl-4-oxidanyl-pentanoic acid

Systemtic Name: 5-[(4-chloranyl-3-sulfamoyl-phenyl)sulfonyl-methyl-amino]-4-methyl-4-oxidanyl-pentanoic acid Openeye Name: 5-[(4-chloro-3-sulfamoyl-phenyl)sulfonyl-methyl-amino]-4-hydroxy-4-methyl-pentanoic acid CAS Name: 5-[(4-chloro-3-sulfamoylphenyl)sulfonyl-methylamino]-4-hydroxy-4-methylpentanoic acid IUPAC Name: 5-[(4-chloro-3-sulfamoylphenyl)sulfonyl-methylamino]-4-hydroxy-4-methylpentanoic acid Traditional Name: 5-[(4-chloro-3-sulfamoyl-phenyl)sulfonyl-methyl-amino]-4-hydroxy-4-methyl-valeric acid Formula: C13H19ClN2O7S2 MolecularWeight: 414.88216

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)(CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N)O

Isomeric SMILES

CC(CCC(=O)O)(CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N)O

InChI

InChI=1S/C13H19ClN2O7S2/c1-13(19,6-5-12(17)18)8-16(2)25(22,23)9-3-4-10(14)11(7-9)24(15,20)21/h3-4,7,19H,5-6,8H2,1-2H3,(H,17,18)(H2,15,20,21)