2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-(1-tert-butoxycarbonyl-4-piperidyl)-2-(4-but-2-ynoxyphenyl)sulfonyl-acetic acid CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]acetic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid Traditional Name: 2-(1-tert-butoxycarbonyl-4-piperidyl)-2-(4-but-2-ynoxyphenyl)sulfonyl-acetic acid Formula: C22H29NO7S MolecularWeight: 451.53316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO7S/c1-5-6-15-29-17-7-9-18(10-8-17)31(27,28)19(20(24)25)16-11-13-23(14-12-16)21(26)30-22(2,3)4/h7-10,16,19H,11-15H2,1-4H3,(H,24,25)