ethyl 4-(3-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-(3-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxylate Openeye Name: ethyl 4-(3-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxylate CAS Name: 4-(3-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-phenoxyphenyl)sulfonyl-1-prop-2-ynylpiperidine-4-carboxylate Traditional Name: 4-(3-phenoxyphenyl)sulfonyl-1-propargyl-isonipecotic acid ethyl ester Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5S/c1-3-15-24-16-13-23(14-17-24,22(25)28-4-2)30(26,27)21-12-8-11-20(18-21)29-19-9-6-5-7-10-19/h1,5-12,18H,4,13-17H2,2H3