2-(4-chlorophenyl)sulfanyl-5-nitro-N-(3,4,5-trimethoxyphenyl)benzamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-N-(3,4,5-trimethoxyphenyl)benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-N-(3,4,5-trimethoxyphenyl)benzamide CAS Name: 2-[(4-chlorophenyl)thio]-5-nitro-N-(3,4,5-trimethoxyphenyl)benzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-N-(3,4,5-trimethoxyphenyl)benzamide Traditional Name: 2-[(4-chlorophenyl)thio]-5-nitro-N-(3,4,5-trimethoxyphenyl)benzamide Formula: C22H19ClN2O6S MolecularWeight: 474.91406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

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