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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-4-methyl-N-(4-methylphenyl)sulfonyl-3,5-dinitro-benzamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-4-methyl-3,5-dinitro-N-(p-tolylsulfonyl)benzamide CAS Name: N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(4-methylphenyl)sulfonyl-3,5-dinitrobenzamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(4-methylphenyl)sulfonyl-3,5-dinitrobenzamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-4-methyl-3,5-dinitro-N-tosyl-benzamide Formula: C22H18ClN3O8S MolecularWeight: 519.91162

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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(=C(C(=C3)[N+](=O)[O-])C)[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(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C22H18ClN3O8S/c1-13-4-7-17(8-5-13)35(32,33)24(16-6-9-21(34-3)18(23)12-16)22(27)15-10-19(25(28)29)14(2)20(11-15)26(30)31/h4-12H,1-3H3