2-[4-(oxidanylcarbamoyl)-4-(4-phenylsulfanylphenyl)sulfonyl-piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(oxidanylcarbamoyl)-4-(4-phenylsulfanylphenyl)sulfonyl-piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-(hydroxycarbamoyl)-4-(4-phenylsulfanylphenyl)sulfonyl-1-piperidyl]acetic acid CAS Name: 2-[4-[(hydroxyamino)-oxomethyl]-4-[4-(phenylthio)phenyl]sulfonyl-1-piperidinyl]acetic acid IUPAC Name: 2-[4-(hydroxycarbamoyl)-4-(4-phenylsulfanylphenyl)sulfonylpiperidin-1-yl]acetic acid Traditional Name: 2-[4-(hydroxycarbamoyl)-4-[4-(phenylthio)phenyl]sulfonyl-piperidino]acetic acid Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1CN(CCC1(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C20H22N2O6S2/c23-18(24)14-22-12-10-20(11-13-22,19(25)21-26)30(27,28)17-8-6-16(7-9-17)29-15-4-2-1-3-5-15/h1-9,26H,10-14H2,(H,21,25)(H,23,24)