2-(4-but-2-ynoxyphenyl)sulfonyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]butanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]butanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-4-[4-[2-(1-piperidyl)ethoxy]phenyl]butanoic acid CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-4-[4-[2-(1-piperidinyl)ethoxy]phenyl]butanoic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]butanoic acid Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-4-[4-(2-piperidinoethoxy)phenyl]butyric acid Formula: C27H33NO6S MolecularWeight: 499.61902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(CCC2=CC=C(C=C2)OCCN3CCCCC3)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(CCC2=CC=C(C=C2)OCCN3CCCCC3)C(=O)O

InChI

InChI=1S/C27H33NO6S/c1-2-3-20-33-24-12-14-25(15-13-24)35(31,32)26(27(29)30)16-9-22-7-10-23(11-8-22)34-21-19-28-17-5-4-6-18-28/h7-8,10-15,26H,4-6,9,16-21H2,1H3,(H,29,30)