2-[[4-(4-cyanophenoxy)iminopiperidin-1-yl]sulfonylmethyl]-3-methyl-butanoic acid

Systemtic Name: 2-[[4-(4-cyanophenoxy)iminopiperidin-1-yl]sulfonylmethyl]-3-methyl-butanoic acid Openeye Name: 2-[[4-(4-cyanophenoxy)imino-1-piperidyl]sulfonylmethyl]-3-methyl-butanoic acid CAS Name: 2-[[4-(4-cyanophenoxy)imino-1-piperidinyl]sulfonylmethyl]-3-methylbutanoic acid IUPAC Name: 2-[[4-(4-cyanophenoxy)iminopiperidin-1-yl]sulfonylmethyl]-3-methylbutanoic acid Traditional Name: 2-[[4-(4-cyanophenyl)oximinopiperidino]sulfonylmethyl]-3-methyl-butyric acid Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CS(=O)(=O)N1CCC(=NOC2=CC=C(C=C2)C#N)CC1)C(=O)O

Isomeric SMILES

CC(C)C(CS(=O)(=O)N1CCC(=NOC2=CC=C(C=C2)C#N)CC1)C(=O)O

InChI

InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)23)12-27(24,25)21-9-7-15(8-10-21)20-26-16-5-3-14(11-19)4-6-16/h3-6,13,17H,7-10,12H2,1-2H3,(H,22,23)