4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-methoxy-N-(3-morpholinosulfonylphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-methoxy-N-[3-(4-morpholinylsulfonyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-methoxy-N-(3-morpholinosulfonylphenyl)-3-nitro-benzenesulfonamide Formula: C17H19N3O8S2 MolecularWeight: 457.47806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O8S2/c1-27-17-6-5-14(12-16(17)20(21)22)29(23,24)18-13-3-2-4-15(11-13)30(25,26)19-7-9-28-10-8-19/h2-6,11-12,18H,7-10H2,1H3