2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-[(4-methoxyphenyl)methyl]-4-piperidyl]acetic acid CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-[(4-methoxyphenyl)methyl]-4-piperidinyl]acetic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetic acid Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(1-p-anisyl-4-piperidyl)acetic acid Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C2CCN(CC2)CC3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C2CCN(CC2)CC3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C25H29NO6S/c1-3-4-17-32-22-9-11-23(12-10-22)33(29,30)24(25(27)28)20-13-15-26(16-14-20)18-19-5-7-21(31-2)8-6-19/h5-12,20,24H,13-18H2,1-2H3,(H,27,28)