4-(4-but-2-ynoxyphenyl)sulfanyl-4-(oxidanylcarbamoyl)piperidine-1-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfanyl-4-(oxidanylcarbamoyl)piperidine-1-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfanyl-4-(hydroxycarbamoyl)piperidine-1-carboxylic acid CAS Name: 4-[(4-but-2-ynoxyphenyl)thio]-4-[(hydroxyamino)-oxomethyl]-1-piperidinecarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfanyl-4-(hydroxycarbamoyl)piperidine-1-carboxylic acid Traditional Name: 4-[(4-but-2-ynoxyphenyl)thio]-4-(hydroxycarbamoyl)piperidine-1-carboxylic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC2(CCN(CC2)C(=O)O)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC2(CCN(CC2)C(=O)O)C(=O)NO

InChI

InChI=1S/C17H20N2O5S/c1-2-3-12-24-13-4-6-14(7-5-13)25-17(15(20)18-23)8-10-19(11-9-17)16(21)22/h4-7,23H,8-12H2,1H3,(H,18,20)(H,21,22)