4-chloranyl-N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-3-nitro-benzamide Openeye Name: 4-chloro-N-(2-methyl-5-morpholinosulfonyl-phenyl)-3-nitro-benzamide CAS Name: 4-chloro-N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide Traditional Name: 4-chloro-N-(2-methyl-5-morpholinosulfonyl-phenyl)-3-nitro-benzamide Formula: C18H18ClN3O6S MolecularWeight: 439.87002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

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