2-azanyl-4-(4-methoxyphenyl)sulfonyl-3-nitro-N-oxidanyl-5-(phenylmethyl)benzamide

Systemtic Name: 2-azanyl-4-(4-methoxyphenyl)sulfonyl-3-nitro-N-oxidanyl-5-(phenylmethyl)benzamide Openeye Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-3-nitro-benzenecarbohydroxamic acid CAS Name: 2-amino-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-3-nitro-5-(phenylmethyl)benzamide IUPAC Name: 2-amino-5-benzyl-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-3-nitrobenzamide Traditional Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-3-nitro-benzenecarbohydroxamic acid Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2[N+](=O)[O-])N)C(=O)NO)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2[N+](=O)[O-])N)C(=O)NO)CC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O7S/c1-31-15-7-9-16(10-8-15)32(29,30)20-14(11-13-5-3-2-4-6-13)12-17(21(25)23-26)18(22)19(20)24(27)28/h2-10,12,26H,11,22H2,1H3,(H,23,25)