2-[(4-but-2-ynoxyphenyl)sulfonyl-ethyl-amino]-3-methyl-butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(C(C)C)C(=O)O)S(=O)(=O)C1=CC=C(C=C1)OCC#CC

Isomeric SMILES

CCN(C(C(C)C)C(=O)O)S(=O)(=O)C1=CC=C(C=C1)OCC#CC

InChI

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