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

Systemtic Name: 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-1-(2-methylphenyl)carbonyl-N-oxidanyl-piperidine-4-carboxamide Openeye Name: 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-1-(2-methylbenzoyl)piperidine-4-carbohydroxamic acid CAS Name: 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxy-1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxy-1-(2-methylbenzoyl)piperidine-4-carboxamide Traditional Name: 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-1-o-toluoyl-piperidine-4-carbohydroxamic acid Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCNC1=CC=C(C=C1)S(=O)(=O)CC2(CCN(CC2)C(=O)C3=CC=CC=C3C)C(=O)NO

Isomeric SMILES

CC#CCNC1=CC=C(C=C1)S(=O)(=O)CC2(CCN(CC2)C(=O)C3=CC=CC=C3C)C(=O)NO

InChI

InChI=1S/C25H29N3O5S/c1-3-4-15-26-20-9-11-21(12-10-20)34(32,33)18-25(24(30)27-31)13-16-28(17-14-25)23(29)22-8-6-5-7-19(22)2/h5-12,26,31H,13-18H2,1-2H3,(H,27,30)