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

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-morpholin-4-ylcarbonyl-piperazine-2-carboxylic acid Openeye Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(morpholine-4-carbonyl)piperazine-2-carboxylic acid CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[4-morpholinyl(oxo)methyl]-2-piperazinecarboxylic acid IUPAC Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(morpholine-4-carbonyl)piperazine-2-carboxylic acid Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(morpholine-4-carbonyl)piperazine-2-carboxylic acid Formula: C20H25N3O7S MolecularWeight: 451.4934

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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)N3CCOCC3

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)C(=O)N3CCOCC3

InChI

InChI=1S/C20H25N3O7S/c1-2-3-12-30-16-4-6-17(7-5-16)31(27,28)23-9-8-22(15-18(23)19(24)25)20(26)21-10-13-29-14-11-21/h4-7,18H,8-15H2,1H3,(H,24,25)