ethyl 4-[[4-(3,4-dimethylphenoxy)phenyl]sulfonylmethyl]-1-prop-2-ynyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-[[4-(3,4-dimethylphenoxy)phenyl]sulfonylmethyl]-1-prop-2-ynyl-piperidine-4-carboxylate Openeye Name: ethyl 4-[[4-(3,4-dimethylphenoxy)phenyl]sulfonylmethyl]-1-prop-2-ynyl-piperidine-4-carboxylate CAS Name: 4-[[4-(3,4-dimethylphenoxy)phenyl]sulfonylmethyl]-1-prop-2-ynyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3,4-dimethylphenoxy)phenyl]sulfonylmethyl]-1-prop-2-ynylpiperidine-4-carboxylate Traditional Name: 4-[[4-(3,4-dimethylphenoxy)phenyl]sulfonylmethyl]-1-propargyl-isonipecotic acid ethyl ester Formula: C26H31NO5S MolecularWeight: 469.59304

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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(=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO5S/c1-5-15-27-16-13-26(14-17-27,25(28)31-6-2)19-33(29,30)24-11-9-22(10-12-24)32-23-8-7-20(3)21(4)18-23/h1,7-12,18H,6,13-17,19H2,2-4H3