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

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: 4-hydroxy-N-(4-methyl-3-morpholinosulfonyl-phenyl)-3-nitro-benzenesulfonamide CAS Name: 4-hydroxy-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-hydroxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-hydroxy-N-(4-methyl-3-morpholinosulfonyl-phenyl)-3-nitro-benzenesulfonamide Formula: C17H19N3O8S2 MolecularWeight: 457.47806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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