N-[2,5-dimethyl-4-oxidanyl-3-(phenylsulfonyl)phenyl]-4-nitro-benzamide

Systemtic Name: N-[2,5-dimethyl-4-oxidanyl-3-(phenylsulfonyl)phenyl]-4-nitro-benzamide Openeye Name: N-[3-(benzenesulfonyl)-4-hydroxy-2,5-dimethyl-phenyl]-4-nitro-benzamide CAS Name: N-[3-(benzenesulfonyl)-4-hydroxy-2,5-dimethylphenyl]-4-nitrobenzamide IUPAC Name: N-[3-(benzenesulfonyl)-4-hydroxy-2,5-dimethylphenyl]-4-nitrobenzamide Traditional Name: N-(3-besyl-4-hydroxy-2,5-dimethyl-phenyl)-4-nitro-benzamide Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1O)S(=O)(=O)C2=CC=CC=C2)C)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1O)S(=O)(=O)C2=CC=CC=C2)C)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6S/c1-13-12-18(22-21(25)15-8-10-16(11-9-15)23(26)27)14(2)20(19(13)24)30(28,29)17-6-4-3-5-7-17/h3-12,24H,1-2H3,(H,22,25)