4-methyl-N-(3-morpholin-4-ylsulfonylphenyl)-3,5-dinitro-benzamide

Systemtic Name: 4-methyl-N-(3-morpholin-4-ylsulfonylphenyl)-3,5-dinitro-benzamide Openeye Name: 4-methyl-N-(3-morpholinosulfonylphenyl)-3,5-dinitro-benzamide CAS Name: 4-methyl-N-[3-(4-morpholinylsulfonyl)phenyl]-3,5-dinitrobenzamide IUPAC Name: 4-methyl-N-(3-morpholin-4-ylsulfonylphenyl)-3,5-dinitrobenzamide Traditional Name: 4-methyl-N-(3-morpholinosulfonylphenyl)-3,5-dinitro-benzamide Formula: C18H18N4O8S MolecularWeight: 450.42252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O8S/c1-12-16(21(24)25)9-13(10-17(12)22(26)27)18(23)19-14-3-2-4-15(11-14)31(28,29)20-5-7-30-8-6-20/h2-4,9-11H,5-8H2,1H3,(H,19,23)