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

Systemtic Name: 4-(3-but-2-ynoxyphenyl)sulfonyl-1-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-benzyl-4-(3-but-2-ynoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 4-(3-but-2-ynoxyphenyl)sulfonyl-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-benzyl-4-(3-but-2-ynoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-benzyl-4-(3-but-2-ynoxyphenyl)sulfonyl-isonipecotic acid Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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