(4-morpholin-4-ylsulfonyl-2-nitro-phenyl) 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: (4-morpholin-4-ylsulfonyl-2-nitro-phenyl) 3-morpholin-4-ylsulfonylbenzoate Openeye Name: (4-morpholinosulfonyl-2-nitro-phenyl) 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid [4-(4-morpholinylsulfonyl)-2-nitrophenyl] ester IUPAC Name: (4-morpholin-4-ylsulfonyl-2-nitrophenyl) 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid (4-morpholinosulfonyl-2-nitro-phenyl) ester Formula: C21H23N3O10S2 MolecularWeight: 541.55142

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O10S2/c25-21(16-2-1-3-17(14-16)35(28,29)22-6-10-32-11-7-22)34-20-5-4-18(15-19(20)24(26)27)36(30,31)23-8-12-33-13-9-23/h1-5,14-15H,6-13H2