3-(4-but-2-ynoxyphenyl)-1-methyl-2-sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 3-(4-but-2-ynoxyphenyl)-1-methyl-2-sulfonyl-piperidine-4-carboxylic acid Openeye Name: 3-(4-but-2-ynoxyphenyl)-1-methyl-2-sulfonyl-piperidine-4-carboxylic acid CAS Name: 3-(4-but-2-ynoxyphenyl)-1-methyl-2-sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 3-(4-but-2-ynoxyphenyl)-1-methyl-2-sulfonylpiperidine-4-carboxylic acid Traditional Name: 3-(4-but-2-ynoxyphenyl)-1-methyl-2-sulfonyl-isonipecotic acid Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)C2C(CCN(C2=S(=O)=O)C)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)C2C(CCN(C2=S(=O)=O)C)C(=O)O

InChI

InChI=1S/C17H19NO5S/c1-3-4-11-23-13-7-5-12(6-8-13)15-14(17(19)20)9-10-18(2)16(15)24(21)22/h5-8,14-15H,9-11H2,1-2H3,(H,19,20)