4-(4-but-2-ynoxyphenyl)sulfonyl-N1,N1-diethyl-N3-oxidanyl-piperazine-1,3-dicarboxamide

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N1,N1-diethyl-N3-oxidanyl-piperazine-1,3-dicarboxamide Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N,N-diethyl-3-(hydroxycarbamoyl)piperazine-1-carboxamide CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N1,N1-diethyl-N3-hydroxypiperazine-1,3-dicarboxamide IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-N,1-N-diethyl-3-N-hydroxypiperazine-1,3-dicarboxamide Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N,N-diethyl-3-(hydroxycarbamoyl)piperazine-1-carboxamide Formula: C20H28N4O6S MolecularWeight: 452.52452

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CCN(CC)C(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C20H28N4O6S/c1-4-7-14-30-16-8-10-17(11-9-16)31(28,29)24-13-12-23(15-18(24)19(25)21-27)20(26)22(5-2)6-3/h8-11,18,27H,5-6,12-15H2,1-3H3,(H,21,25)