N-[4-(1-benzothiophen-3-ylmethyl)-1-oxidanyl-5-(oxidanylamino)-5-oxidanylidene-pentan-2-yl]-N-methyl-4-nitro-benzamide

Systemtic Name: N-[4-(1-benzothiophen-3-ylmethyl)-1-oxidanyl-5-(oxidanylamino)-5-oxidanylidene-pentan-2-yl]-N-methyl-4-nitro-benzamide Openeye Name: N-[3-(benzothiophen-3-ylmethyl)-4-(hydroxyamino)-1-(hydroxymethyl)-4-oxo-butyl]-N-methyl-4-nitro-benzamide CAS Name: N-[4-(1-benzothiophen-3-ylmethyl)-1-hydroxy-5-(hydroxyamino)-5-oxopentan-2-yl]-N-methyl-4-nitrobenzamide IUPAC Name: N-[4-(1-benzothiophen-3-ylmethyl)-1-hydroxy-5-(hydroxyamino)-5-oxopentan-2-yl]-N-methyl-4-nitrobenzamide Traditional Name: N-[3-(benzothiophen-3-ylmethyl)-4-(hydroxyamino)-4-keto-1-methylol-butyl]-N-methyl-4-nitro-benzamide Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC(CC1=CSC2=CC=CC=C21)C(=O)NO)CO)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C(CC(CC1=CSC2=CC=CC=C21)C(=O)NO)CO)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6S/c1-24(22(28)14-6-8-17(9-7-14)25(30)31)18(12-26)11-15(21(27)23-29)10-16-13-32-20-5-3-2-4-19(16)20/h2-9,13,15,18,26,29H,10-12H2,1H3,(H,23,27)