1-(4-but-2-ynoxyphenyl)sulfonyl-5-oxidanyl-piperidine-2-carboxylic acid

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-5-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-5-hydroxy-piperidine-2-carboxylic acid CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-5-hydroxy-2-piperidinecarboxylic acid IUPAC Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-5-hydroxypiperidine-2-carboxylic acid Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-5-hydroxy-pipecolinic acid Formula: C16H19NO6S MolecularWeight: 353.39016

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CCC2C(=O)O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CCC2C(=O)O)O

InChI

InChI=1S/C16H19NO6S/c1-2-3-10-23-13-5-7-14(8-6-13)24(21,22)17-11-12(18)4-9-15(17)16(19)20/h5-8,12,15,18H,4,9-11H2,1H3,(H,19,20)