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

Systemtic Name: N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-nitro-benzamide Openeye Name: N-(2-methoxy-5-morpholinosulfonyl-phenyl)-3-nitro-benzamide CAS Name: N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide Traditional Name: N-(2-methoxy-5-morpholinosulfonyl-phenyl)-3-nitro-benzamide Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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