4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-oxidanyl-1-propan-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-oxidanyl-1-propan-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-1-isopropylsulfonyl-piperidine-4-carbohydroxamic acid CAS Name: 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxy-1-propan-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxy-1-propan-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-1-isopropylsulfonyl-piperidine-4-carbohydroxamic acid Formula: C20H29N3O6S2 MolecularWeight: 471.59076

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCNC1=CC=C(C=C1)S(=O)(=O)CC2(CCN(CC2)S(=O)(=O)C(C)C)C(=O)NO

Isomeric SMILES

CC#CCNC1=CC=C(C=C1)S(=O)(=O)CC2(CCN(CC2)S(=O)(=O)C(C)C)C(=O)NO

InChI

InChI=1S/C20H29N3O6S2/c1-4-5-12-21-17-6-8-18(9-7-17)30(26,27)15-20(19(24)22-25)10-13-23(14-11-20)31(28,29)16(2)3/h6-9,16,21,25H,10-15H2,1-3H3,(H,22,24)