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

Systemtic Name: 2-chloranyl-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-4-nitro-benzamide Openeye Name: 2-chloro-N-(4-methyl-3-morpholinosulfonyl-phenyl)-4-nitro-benzamide CAS Name: 2-chloro-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-nitrobenzamide Traditional Name: 2-chloro-N-(4-methyl-3-morpholinosulfonyl-phenyl)-4-nitro-benzamide Formula: C18H18ClN3O6S MolecularWeight: 439.87002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O6S/c1-12-2-3-13(10-17(12)29(26,27)21-6-8-28-9-7-21)20-18(23)15-5-4-14(22(24)25)11-16(15)19/h2-5,10-11H,6-9H2,1H3,(H,20,23)