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

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-thiophen-2-ylcarbonyl-piperazine-2-carboxylic acid Openeye Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(thiophene-2-carbonyl)piperazine-2-carboxylic acid CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[oxo(thiophen-2-yl)methyl]-2-piperazinecarboxylic acid IUPAC Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(thiophene-2-carbonyl)piperazine-2-carboxylic acid Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(2-thenoyl)piperazine-2-carboxylic acid Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)C(=O)C3=CC=CS3

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H20N2O6S2/c1-2-3-12-28-15-6-8-16(9-7-15)30(26,27)22-11-10-21(14-17(22)20(24)25)19(23)18-5-4-13-29-18/h4-9,13,17H,10-12,14H2,1H3,(H,24,25)