3-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-chlorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-chlorobenzyl)nipecotic acid Formula: C23H24ClNO5S MolecularWeight: 461.95836

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCCN(C2)CC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCCN(C2)CC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C23H24ClNO5S/c1-2-3-15-30-20-9-11-21(12-10-20)31(28,29)23(22(26)27)13-4-14-25(17-23)16-18-5-7-19(24)8-6-18/h5-12H,4,13-17H2,1H3,(H,26,27)