(3-methyl-4-nitro-phenyl) 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: (3-methyl-4-nitro-phenyl) 3-morpholin-4-ylsulfonylbenzoate Openeye Name: (3-methyl-4-nitro-phenyl) 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid (3-methyl-4-nitrophenyl) ester IUPAC Name: (3-methyl-4-nitrophenyl) 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid (3-methyl-4-nitro-phenyl) ester Formula: C18H18N2O7S MolecularWeight: 406.40972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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