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

Systemtic Name: 1-(phenylmethyl)-4-(4-prop-2-ynoxyphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-benzyl-4-(4-prop-2-ynoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-(phenylmethyl)-4-(4-prop-2-ynoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-benzyl-4-(4-prop-2-ynoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-benzyl-4-(4-propargyloxyphenyl)sulfonyl-isonipecotic acid Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5S/c1-2-16-28-19-8-10-20(11-9-19)29(26,27)22(21(24)25)12-14-23(15-13-22)17-18-6-4-3-5-7-18/h1,3-11H,12-17H2,(H,24,25)