2-[(2,5-dimethylphenyl)sulfonylamino]-3-methyl-hexanoic acid

Systemtic Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-3-methyl-hexanoic acid Openeye Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-3-methyl-hexanoic acid CAS Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-3-methylhexanoic acid IUPAC Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-3-methylhexanoic acid Traditional Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-3-methyl-hexanoic acid Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C(=O)O)NS(=O)(=O)C1=C(C=CC(=C1)C)C

Isomeric SMILES

CCCC(C)C(C(=O)O)NS(=O)(=O)C1=C(C=CC(=C1)C)C

InChI

InChI=1S/C15H23NO4S/c1-5-6-12(4)14(15(17)18)16-21(19,20)13-9-10(2)7-8-11(13)3/h7-9,12,14,16H,5-6H2,1-4H3,(H,17,18)