4-(dioxidanylmethyl)-4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-piperidine

Systemtic Name: 4-(dioxidanylmethyl)-4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-piperidine Openeye Name: 4-(hydroperoxymethyl)-4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-piperidine CAS Name: 4-(hydroperoxymethyl)-4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpiperidine IUPAC Name: 4-(hydroperoxymethyl)-4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpiperidine Traditional Name: 4-(hydroperoxymethyl)-4-(4-phenoxyphenyl)sulfonyl-1-propargyl-piperidine Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCC(CC1)(COO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C#CCN1CCC(CC1)(COO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H23NO5S/c1-2-14-22-15-12-21(13-16-22,17-26-23)28(24,25)20-10-8-19(9-11-20)27-18-6-4-3-5-7-18/h1,3-11,23H,12-17H2