N-[2-(4-chloranyl-2-nitro-phenyl)sulfanylphenyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[2-(4-chloranyl-2-nitro-phenyl)sulfanylphenyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[2-(4-chloro-2-nitro-phenyl)sulfanylphenyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[2-[(4-chloro-2-nitrophenyl)thio]phenyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[2-(4-chloro-2-nitrophenyl)sulfanylphenyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[2-[(4-chloro-2-nitro-phenyl)thio]phenyl]-3,4,5-trimethoxy-benzamide Formula: C22H19ClN2O6S MolecularWeight: 474.91406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC=C2SC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC=C2SC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H19ClN2O6S/c1-29-17-10-13(11-18(30-2)21(17)31-3)22(26)24-15-6-4-5-7-19(15)32-20-9-8-14(23)12-16(20)25(27)28/h4-12H,1-3H3,(H,24,26)