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

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-benzyl-4-(4-but-2-ynoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-benzyl-4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-benzyl-4-(4-but-2-ynoxyphenyl)sulfonyl-isonipecotic acid Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H25NO5S/c1-2-3-17-29-20-9-11-21(12-10-20)30(27,28)23(22(25)26)13-15-24(16-14-23)18-19-7-5-4-6-8-19/h4-12H,13-18H2,1H3,(H,25,26)