ethyl 4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynyl-piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynyl-piperidine-4-carboxylate CAS Name: 4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynylpiperidine-4-carboxylate Traditional Name: 4-[(4-phenoxyphenyl)sulfonylmethyl]-1-propargyl-isonipecotic acid ethyl ester Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC#C)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC#C)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C24H27NO5S/c1-3-16-25-17-14-24(15-18-25,23(26)29-4-2)19-31(27,28)22-12-10-21(11-13-22)30-20-8-6-5-7-9-20/h1,5-13H,4,14-19H2,2H3