4-[(2,4-dimethylphenyl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitro-benzamide

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitro-benzamide Openeye Name: 4-(2,4-dimethylanilino)-N-(4-morpholinosulfonylphenyl)-3,5-dinitro-benzamide CAS Name: 4-(2,4-dimethylanilino)-N-[4-(4-morpholinylsulfonyl)phenyl]-3,5-dinitrobenzamide IUPAC Name: 4-(2,4-dimethylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitrobenzamide Traditional Name: 4-(2,4-dimethylanilino)-N-(4-morpholinosulfonylphenyl)-3,5-dinitro-benzamide Formula: C25H25N5O8S MolecularWeight: 555.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])C

InChI

InChI=1S/C25H25N5O8S/c1-16-3-8-21(17(2)13-16)27-24-22(29(32)33)14-18(15-23(24)30(34)35)25(31)26-19-4-6-20(7-5-19)39(36,37)28-9-11-38-12-10-28/h3-8,13-15,27H,9-12H2,1-2H3,(H,26,31)