ethyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-propan-2-yl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-propan-2-yl-piperidine-4-carboxylate Openeye Name: ethyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-isopropyl-piperidine-4-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-propan-2-yl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-propan-2-ylpiperidine-4-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-isopropyl-isonipecotic acid ethyl ester Formula: C21H29NO5S MolecularWeight: 407.52366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO5S/c1-5-7-16-27-18-8-10-19(11-9-18)28(24,25)21(20(23)26-6-2)12-14-22(15-13-21)17(3)4/h8-11,17H,6,12-16H2,1-4H3