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

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-cyanophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-cyanophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-cyanophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-cyanophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-cyanobenzyl)isonipecotic acid Formula: C24H24N2O5S MolecularWeight: 452.52276

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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)C#N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O5S/c1-2-3-16-31-21-8-10-22(11-9-21)32(29,30)24(23(27)28)12-14-26(15-13-24)18-20-6-4-19(17-25)5-7-20/h4-11H,12-16,18H2,1H3,(H,27,28)