(2R)-4-[3-(1H-imidazol-2-yl)-2-sulfanyl-propyl]sulfonyl-N-oxidanyl-1-(5-phenylthiophen-2-yl)sulfonyl-piperazine-2-carboxamide

Systemtic Name: (2R)-4-[3-(1H-imidazol-2-yl)-2-sulfanyl-propyl]sulfonyl-N-oxidanyl-1-(5-phenylthiophen-2-yl)sulfonyl-piperazine-2-carboxamide Openeye Name: (2R)-4-[3-(1H-imidazol-2-yl)-2-sulfanyl-propyl]sulfonyl-1-[(5-phenyl-2-thienyl)sulfonyl]piperazine-2-carbohydroxamic acid CAS Name: (2R)-N-hydroxy-4-[3-(1H-imidazol-2-yl)-2-mercaptopropyl]sulfonyl-1-[(5-phenyl-2-thiophenyl)sulfonyl]-2-piperazinecarboxamide IUPAC Name: (2R)-N-hydroxy-4-[3-(1H-imidazol-2-yl)-2-sulfanylpropyl]sulfonyl-1-(5-phenylthiophen-2-yl)sulfonylpiperazine-2-carboxamide Traditional Name: (2R)-4-[3-(1H-imidazol-2-yl)-2-mercapto-propyl]sulfonyl-1-[(5-phenyl-2-thienyl)sulfonyl]piperazine-2-carbohydroxamic acid Formula: C21H25N5O6S4 MolecularWeight: 571.7131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1S(=O)(=O)CC(CC2=NC=CN2)S)C(=O)NO)S(=O)(=O)C3=CC=C(S3)C4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](CN1S(=O)(=O)CC(CC2=NC=CN2)S)C(=O)NO)S(=O)(=O)C3=CC=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O6S4/c27-21(24-28)17-13-25(35(29,30)14-16(33)12-19-22-8-9-23-19)10-11-26(17)36(31,32)20-7-6-18(34-20)15-4-2-1-3-5-15/h1-9,16-17,28,33H,10-14H2,(H,22,23)(H,24,27)/t16?,17-/m1/s1