(3-morpholin-4-ylsulfonylphenyl)methyl 5-chloranyl-2-nitro-benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 5-chloranyl-2-nitro-benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C18H17ClN2O7S MolecularWeight: 440.85478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O7S/c19-14-4-5-17(21(23)24)16(11-14)18(22)28-12-13-2-1-3-15(10-13)29(25,26)20-6-8-27-9-7-20/h1-5,10-11H,6-9,12H2