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

Systemtic Name: 4-[(2-chlorophenyl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitro-benzamide Openeye Name: 4-(2-chloroanilino)-N-(4-morpholinosulfonylphenyl)-3,5-dinitro-benzamide CAS Name: 4-(2-chloroanilino)-N-[4-(4-morpholinylsulfonyl)phenyl]-3,5-dinitrobenzamide IUPAC Name: 4-(2-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitrobenzamide Traditional Name: 4-(2-chloroanilino)-N-(4-morpholinosulfonylphenyl)-3,5-dinitro-benzamide Formula: C23H20ClN5O8S MolecularWeight: 561.9516

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])NC4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])NC4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H20ClN5O8S/c24-18-3-1-2-4-19(18)26-22-20(28(31)32)13-15(14-21(22)29(33)34)23(30)25-16-5-7-17(8-6-16)38(35,36)27-9-11-37-12-10-27/h1-8,13-14,26H,9-12H2,(H,25,30)