4-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)-3-nitro-benzamide Openeye Name: 4-ethoxy-N-(2-isopropoxy-5-morpholinosulfonyl-phenyl)-3-nitro-benzamide CAS Name: 4-ethoxy-N-[5-(4-morpholinylsulfonyl)-2-propan-2-yloxyphenyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-3-nitrobenzamide Traditional Name: 4-ethoxy-N-(2-isopropoxy-5-morpholinosulfonyl-phenyl)-3-nitro-benzamide Formula: C22H27N3O8S MolecularWeight: 493.53008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O8S/c1-4-32-21-7-5-16(13-19(21)25(27)28)22(26)23-18-14-17(6-8-20(18)33-15(2)3)34(29,30)24-9-11-31-12-10-24/h5-8,13-15H,4,9-12H2,1-3H3,(H,23,26)