N-(4-morpholin-4-ylphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-3-nitro-benzenesulfonamide Openeye Name: N-(4-morpholinophenyl)-3-nitro-benzenesulfonamide CAS Name: N-[4-(4-morpholinyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-3-nitrobenzenesulfonamide Traditional Name: N-(4-morpholinophenyl)-3-nitro-benzenesulfonamide Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5S/c20-19(21)15-2-1-3-16(12-15)25(22,23)17-13-4-6-14(7-5-13)18-8-10-24-11-9-18/h1-7,12,17H,8-11H2