4-[(4-chlorophenyl)methylsulfonylamino]-4-methyl-pent-2-ynoic acid

Systemtic Name: 4-[(4-chlorophenyl)methylsulfonylamino]-4-methyl-pent-2-ynoic acid Openeye Name: 4-[(4-chlorophenyl)methylsulfonylamino]-4-methyl-pent-2-ynoic acid CAS Name: 4-[(4-chlorophenyl)methylsulfonylamino]-4-methyl-2-pentynoic acid IUPAC Name: 4-[(4-chlorophenyl)methylsulfonylamino]-4-methylpent-2-ynoic acid Traditional Name: 4-[(4-chlorobenzyl)sulfonylamino]-4-methyl-pent-2-ynoic acid Formula: C13H14ClNO4S MolecularWeight: 315.77256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC(=O)O)NS(=O)(=O)CC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)(C#CC(=O)O)NS(=O)(=O)CC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H14ClNO4S/c1-13(2,8-7-12(16)17)15-20(18,19)9-10-3-5-11(14)6-4-10/h3-6,15H,9H2,1-2H3,(H,16,17)