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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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