ethyl 1-(phenylmethyl)-4-(4-prop-2-ynoxyphenyl)sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-(phenylmethyl)-4-(4-prop-2-ynoxyphenyl)sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 1-benzyl-4-(4-prop-2-ynoxyphenyl)sulfonyl-piperidine-4-carboxylate CAS Name: 1-(phenylmethyl)-4-(4-prop-2-ynoxyphenyl)sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(4-prop-2-ynoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-benzyl-4-(4-propargyloxyphenyl)sulfonyl-isonipecotic acid ethyl ester Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OCC#C

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OCC#C

InChI

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