2-azanyl-3-(4-but-2-ynoxyphenyl)sulfonyl-2-ethyl-3-methyl-butanoic acid

Systemtic Name: 2-azanyl-3-(4-but-2-ynoxyphenyl)sulfonyl-2-ethyl-3-methyl-butanoic acid Openeye Name: 2-amino-3-(4-but-2-ynoxyphenyl)sulfonyl-2-ethyl-3-methyl-butanoic acid CAS Name: 2-amino-3-(4-but-2-ynoxyphenyl)sulfonyl-2-ethyl-3-methylbutanoic acid IUPAC Name: 2-amino-3-(4-but-2-ynoxyphenyl)sulfonyl-2-ethyl-3-methylbutanoic acid Traditional Name: 2-amino-3-(4-but-2-ynoxyphenyl)sulfonyl-2-ethyl-3-methyl-butyric acid Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)(C(C)(C)S(=O)(=O)C1=CC=C(C=C1)OCC#CC)N

Isomeric SMILES

CCC(C(=O)O)(C(C)(C)S(=O)(=O)C1=CC=C(C=C1)OCC#CC)N

InChI

InChI=1S/C17H23NO5S/c1-5-7-12-23-13-8-10-14(11-9-13)24(21,22)16(3,4)17(18,6-2)15(19)20/h8-11H,6,12,18H2,1-4H3,(H,19,20)