(4-morpholin-4-ylsulfonylphenyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (4-morpholin-4-ylsulfonylphenyl) 3-methyl-4-nitro-benzoate Openeye Name: (4-morpholinosulfonylphenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-(4-morpholinylsulfonyl)phenyl] ester IUPAC Name: (4-morpholin-4-ylsulfonylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-morpholinosulfonylphenyl) ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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