2-[(4-ethynylphenyl)sulfonyl-oxidanyl-amino]-N-(phenylmethyl)pentanediamide

Systemtic Name: 2-[(4-ethynylphenyl)sulfonyl-oxidanyl-amino]-N-(phenylmethyl)pentanediamide Openeye Name: N-benzyl-2-[(4-ethynylphenyl)sulfonyl-hydroxy-amino]pentanediamide CAS Name: 2-[(4-ethynylphenyl)sulfonyl-hydroxyamino]-N-(phenylmethyl)pentanediamide IUPAC Name: N-benzyl-2-[(4-ethynylphenyl)sulfonyl-hydroxyamino]pentanediamide Traditional Name: N-benzyl-2-[(4-ethynylphenyl)sulfonyl-hydroxy-amino]glutaramide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)S(=O)(=O)N(C(CCC(=O)N)C(=O)NCC2=CC=CC=C2)O

Isomeric SMILES

C#CC1=CC=C(C=C1)S(=O)(=O)N(C(CCC(=O)N)C(=O)NCC2=CC=CC=C2)O

InChI

InChI=1S/C20H21N3O5S/c1-2-15-8-10-17(11-9-15)29(27,28)23(26)18(12-13-19(21)24)20(25)22-14-16-6-4-3-5-7-16/h1,3-11,18,26H,12-14H2,(H2,21,24)(H,22,25)