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

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-morpholin-2-ylcarbonyl-piperazine-2-carboxylic acid Openeye Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(morpholine-2-carbonyl)piperazine-2-carboxylic acid CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[2-morpholinyl(oxo)methyl]-2-piperazinecarboxylic acid IUPAC Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(morpholine-2-carbonyl)piperazine-2-carboxylic acid Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(morpholine-2-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)C3CNCCO3

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)C(=O)C3CNCCO3

InChI

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