ethyl 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(1-cyclopropylcarbonylpiperidin-4-yl)ethanoate

Systemtic Name: ethyl 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(1-cyclopropylcarbonylpiperidin-4-yl)ethanoate Openeye Name: ethyl 2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-(cyclopropanecarbonyl)-4-piperidyl]acetate CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetate Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-(cyclopropanecarbonyl)-4-piperidyl]acetic acid ethyl ester Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CCN(CC1)C(=O)C2CC2)S(=O)(=O)C3=CC=C(C=C3)OCC#CC

Isomeric SMILES

CCOC(=O)C(C1CCN(CC1)C(=O)C2CC2)S(=O)(=O)C3=CC=C(C=C3)OCC#CC

InChI

InChI=1S/C23H29NO6S/c1-3-5-16-30-19-8-10-20(11-9-19)31(27,28)21(23(26)29-4-2)17-12-14-24(15-13-17)22(25)18-6-7-18/h8-11,17-18,21H,4,6-7,12-16H2,1-2H3