ethyl 3-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 3-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 3-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate CAS Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-chlorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate Traditional Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-chlorobenzyl)nipecotic acid ethyl ester Formula: C25H28ClNO5S MolecularWeight: 490.01152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)OCC#CC

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)OCC#CC

InChI

InChI=1S/C25H28ClNO5S/c1-3-5-17-32-22-11-13-23(14-12-22)33(29,30)25(24(28)31-4-2)15-6-16-27(19-25)18-20-7-9-21(26)10-8-20/h7-14H,4,6,15-19H2,1-2H3