4-[(4-ethoxyphenyl)amino]-N-(2-methyl-5-sulfamoyl-phenyl)-3,5-dinitro-benzamide

Systemtic Name: 4-[(4-ethoxyphenyl)amino]-N-(2-methyl-5-sulfamoyl-phenyl)-3,5-dinitro-benzamide Openeye Name: 4-(4-ethoxyanilino)-N-(2-methyl-5-sulfamoyl-phenyl)-3,5-dinitro-benzamide CAS Name: 4-(4-ethoxyanilino)-N-(2-methyl-5-sulfamoylphenyl)-3,5-dinitrobenzamide IUPAC Name: 4-(4-ethoxyanilino)-N-(2-methyl-5-sulfamoylphenyl)-3,5-dinitrobenzamide Traditional Name: N-(2-methyl-5-sulfamoyl-phenyl)-3,5-dinitro-4-(p-phenetidino)benzamide Formula: C22H21N5O8S MolecularWeight: 515.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N)C)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O8S/c1-3-35-16-7-5-15(6-8-16)24-21-19(26(29)30)10-14(11-20(21)27(31)32)22(28)25-18-12-17(36(23,33)34)9-4-13(18)2/h4-12,24H,3H2,1-2H3,(H,25,28)(H2,23,33,34)