4-(4-but-2-ynoxyphenyl)sulfonyl-1-thiophen-2-ylcarbonyl-piperidine-4-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-thiophen-2-ylcarbonyl-piperidine-4-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2-thenoyl)isonipecotic acid Formula: C21H21NO6S2 MolecularWeight: 447.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C(=O)C3=CC=CS3)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C(=O)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C21H21NO6S2/c1-2-3-14-28-16-6-8-17(9-7-16)30(26,27)21(20(24)25)10-12-22(13-11-21)19(23)18-5-4-15-29-18/h4-9,15H,10-14H2,1H3,(H,24,25)