N-(3-morpholin-4-ylpropyl)-4-nitro-2-(phenylcarbonyl)benzenesulfonamide

Systemtic Name: N-(3-morpholin-4-ylpropyl)-4-nitro-2-(phenylcarbonyl)benzenesulfonamide Openeye Name: 2-benzoyl-N-(3-morpholinopropyl)-4-nitro-benzenesulfonamide CAS Name: 2-benzoyl-N-[3-(4-morpholinyl)propyl]-4-nitrobenzenesulfonamide IUPAC Name: 2-benzoyl-N-(3-morpholin-4-ylpropyl)-4-nitrobenzenesulfonamide Traditional Name: 2-benzoyl-N-(3-morpholinopropyl)-4-nitro-benzenesulfonamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

C1COCCN1CCCNS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O6S/c24-20(16-5-2-1-3-6-16)18-15-17(23(25)26)7-8-19(18)30(27,28)21-9-4-10-22-11-13-29-14-12-22/h1-3,5-8,15,21H,4,9-14H2