4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitro-benzamide Openeye Name: 4-methoxy-N-(3-morpholinosulfonylphenyl)-3-nitro-benzamide CAS Name: 4-methoxy-N-[3-(4-morpholinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide Traditional Name: 4-methoxy-N-(3-morpholinosulfonylphenyl)-3-nitro-benzamide Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7S/c1-27-17-6-5-13(11-16(17)21(23)24)18(22)19-14-3-2-4-15(12-14)29(25,26)20-7-9-28-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,19,22)