4-(4-but-2-ynoxyphenyl)sulfonyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[4-(2-piperidinoethoxy)benzyl]isonipecotic acid Formula: C30H38N2O6S MolecularWeight: 554.69752

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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)OCCN4CCCCC4)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=C(C=C3)OCCN4CCCCC4)C(=O)O

InChI

InChI=1S/C30H38N2O6S/c1-2-3-22-37-27-11-13-28(14-12-27)39(35,36)30(29(33)34)15-19-32(20-16-30)24-25-7-9-26(10-8-25)38-23-21-31-17-5-4-6-18-31/h7-14H,4-6,15-24H2,1H3,(H,33,34)