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

Systemtic Name: 4-[(4-methylphenyl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitro-benzamide Openeye Name: 4-(4-methylanilino)-N-(4-morpholinosulfonylphenyl)-3,5-dinitro-benzamide CAS Name: 4-(4-methylanilino)-N-[4-(4-morpholinylsulfonyl)phenyl]-3,5-dinitrobenzamide IUPAC Name: 4-(4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)-3,5-dinitrobenzamide Traditional Name: N-(4-morpholinosulfonylphenyl)-3,5-dinitro-4-(p-toluidino)benzamide Formula: C24H23N5O8S MolecularWeight: 541.53312

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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-]

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-]

InChI

InChI=1S/C24H23N5O8S/c1-16-2-4-18(5-3-16)25-23-21(28(31)32)14-17(15-22(23)29(33)34)24(30)26-19-6-8-20(9-7-19)38(35,36)27-10-12-37-13-11-27/h2-9,14-15,25H,10-13H2,1H3,(H,26,30)