N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(4-methoxy-3-morpholinosulfonyl-phenyl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(4-methoxy-3-morpholinosulfonyl-phenyl)-2-methyl-5-nitro-benzenesulfonamide Formula: C18H21N3O8S2 MolecularWeight: 471.50464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H21N3O8S2/c1-13-3-5-15(21(22)23)12-17(13)30(24,25)19-14-4-6-16(28-2)18(11-14)31(26,27)20-7-9-29-10-8-20/h3-6,11-12,19H,7-10H2,1-2H3