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

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(3,4-dichlorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(3,4-dichlorobenzyl)isonipecotic acid Formula: C23H23Cl2NO5S MolecularWeight: 496.40342

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC(=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC(=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C23H23Cl2NO5S/c1-2-3-14-31-18-5-7-19(8-6-18)32(29,30)23(22(27)28)10-12-26(13-11-23)16-17-4-9-20(24)21(25)15-17/h4-9,15H,10-14,16H2,1H3,(H,27,28)