2-[(2-chloranyl-4-methyl-phenyl)sulfonylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[(2-chloranyl-4-methyl-phenyl)sulfonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[(2-chloro-4-methyl-phenyl)sulfonylamino]-3-methyl-pentanoic acid CAS Name: 2-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylpentanoic acid IUPAC Name: 2-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylpentanoic acid Traditional Name: 2-[(2-chloro-4-methyl-phenyl)sulfonylamino]-3-methyl-valeric acid Formula: C13H18ClNO4S MolecularWeight: 319.80432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)C)Cl

Isomeric SMILES

CCC(C)C(C(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)C)Cl

InChI

InChI=1S/C13H18ClNO4S/c1-4-9(3)12(13(16)17)15-20(18,19)11-6-5-8(2)7-10(11)14/h5-7,9,12,15H,4H2,1-3H3,(H,16,17)