2-[[5-(2-azanyl-2-oxidanylidene-ethoxy)-2-chloranyl-4-methyl-phenyl]sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[5-(2-azanyl-2-oxidanylidene-ethoxy)-2-chloranyl-4-methyl-phenyl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[5-(2-amino-2-oxo-ethoxy)-2-chloro-4-methyl-phenyl]sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[[5-(2-amino-2-oxoethoxy)-2-chloro-4-methylphenyl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[[5-(2-amino-2-oxoethoxy)-2-chloro-4-methylphenyl]sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[[5-(2-amino-2-keto-ethoxy)-2-chloro-4-methyl-phenyl]sulfonylamino]-3-methyl-butyric acid Formula: C14H19ClN2O6S MolecularWeight: 378.82846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NC(C(C)C)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NC(C(C)C)C(=O)O)Cl

InChI

InChI=1S/C14H19ClN2O6S/c1-7(2)13(14(19)20)17-24(21,22)11-5-10(23-6-12(16)18)8(3)4-9(11)15/h4-5,7,13,17H,6H2,1-3H3,(H2,16,18)(H,19,20)