2-[(4-chloranyl-2-oxidanyl-3-sulfamoyl-phenyl)carbamoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[(4-chloranyl-2-oxidanyl-3-sulfamoyl-phenyl)carbamoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[(4-chloro-2-hydroxy-3-sulfamoyl-phenyl)carbamoylamino]-3-methyl-pentanoic acid CAS Name: 2-[[(4-chloro-2-hydroxy-3-sulfamoylanilino)-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[(4-chloro-2-hydroxy-3-sulfamoylphenyl)carbamoylamino]-3-methylpentanoic acid Traditional Name: 2-[(4-chloro-2-hydroxy-3-sulfamoyl-phenyl)carbamoylamino]-3-methyl-valeric acid Formula: C13H18ClN3O6S MolecularWeight: 379.81652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)NC1=C(C(=C(C=C1)Cl)S(=O)(=O)N)O

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)NC1=C(C(=C(C=C1)Cl)S(=O)(=O)N)O

InChI

InChI=1S/C13H18ClN3O6S/c1-3-6(2)9(12(19)20)17-13(21)16-8-5-4-7(14)11(10(8)18)24(15,22)23/h4-6,9,18H,3H2,1-2H3,(H,19,20)(H2,15,22,23)(H2,16,17,21)