4-bromanyl-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-bromanyl-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-3-nitro-benzamide Openeye Name: 4-bromo-N-(4-methyl-3-morpholinosulfonyl-phenyl)-3-nitro-benzamide CAS Name: 4-bromo-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-bromo-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide Traditional Name: 4-bromo-N-(4-methyl-3-morpholinosulfonyl-phenyl)-3-nitro-benzamide Formula: C18H18BrN3O6S MolecularWeight: 484.32102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O6S/c1-12-2-4-14(11-17(12)29(26,27)21-6-8-28-9-7-21)20-18(23)13-3-5-15(19)16(10-13)22(24)25/h2-5,10-11H,6-9H2,1H3,(H,20,23)