(4-nitrophenyl) 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (4-nitrophenyl) 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-nitrophenyl) 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid (4-nitrophenyl) ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H18N2O7S/c1-13-2-3-14(12-17(13)28(24,25)19-8-10-26-11-9-19)18(21)27-16-6-4-15(5-7-16)20(22)23/h2-7,12H,8-11H2,1H3