4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(but-2-ynylamino)-N-oxidanyl-N-(4-phenoxyphenyl)sulfonyl-butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(but-2-ynylamino)-N-oxidanyl-N-(4-phenoxyphenyl)sulfonyl-butanamide Openeye Name: 2-(but-2-ynylamino)-4-(1,3-dioxoisoindolin-2-yl)-N-hydroxy-N-(4-phenoxyphenyl)sulfonyl-butanamide CAS Name: 2-(but-2-ynylamino)-4-(1,3-dioxo-2-isoindolyl)-N-hydroxy-N-(4-phenoxyphenyl)sulfonylbutanamide IUPAC Name: 2-(but-2-ynylamino)-4-(1,3-dioxoisoindol-2-yl)-N-hydroxy-N-(4-phenoxyphenyl)sulfonylbutanamide Traditional Name: 2-(but-2-ynylamino)-N-hydroxy-N-(4-phenoxyphenyl)sulfonyl-4-phthalimido-butyramide Formula: C28H25N3O7S MolecularWeight: 547.579

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCNC(CCN1C(=O)C2=CC=CC=C2C1=O)C(=O)N(O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC#CCNC(CCN1C(=O)C2=CC=CC=C2C1=O)C(=O)N(O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H25N3O7S/c1-2-3-18-29-25(17-19-30-26(32)23-11-7-8-12-24(23)27(30)33)28(34)31(35)39(36,37)22-15-13-21(14-16-22)38-20-9-5-4-6-10-20/h4-16,25,29,35H,17-19H2,1H3