N-(3-chloranyl-4-methoxy-phenyl)-N-(4-methylphenyl)sulfonyl-3,5-dinitro-benzamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-N-(4-methylphenyl)sulfonyl-3,5-dinitro-benzamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3,5-dinitro-N-(p-tolylsulfonyl)benzamide CAS Name: N-(3-chloro-4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-3,5-dinitrobenzamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-3,5-dinitrobenzamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-3,5-dinitro-N-tosyl-benzamide Formula: C21H16ClN3O8S MolecularWeight: 505.88504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC(=C(C=C2)OC)Cl)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC(=C(C=C2)OC)Cl)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O8S/c1-13-3-6-18(7-4-13)34(31,32)23(15-5-8-20(33-2)19(22)12-15)21(26)14-9-16(24(27)28)11-17(10-14)25(29)30/h3-12H,1-2H3