butyl 4-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)benzoate

Systemtic Name: butyl 4-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)benzoate Openeye Name: butyl 4-(4-morpholinosulfonyl-2-nitro-phenoxy)benzoate CAS Name: 4-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]benzoic acid butyl ester IUPAC Name: butyl 4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)benzoate Traditional Name: 4-(4-morpholinosulfonyl-2-nitro-phenoxy)benzoic acid butyl ester Formula: C21H24N2O8S MolecularWeight: 464.48886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O8S/c1-2-3-12-30-21(24)16-4-6-17(7-5-16)31-20-9-8-18(15-19(20)23(25)26)32(27,28)22-10-13-29-14-11-22/h4-9,15H,2-3,10-14H2,1H3