3-nitro-4-(4-propanoylphenoxy)-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 3-nitro-4-(4-propanoylphenoxy)-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-(4-propanoylphenoxy)benzenesulfonamide CAS Name: 3-nitro-4-[4-(1-oxopropyl)phenoxy]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 3-nitro-4-(4-propanoylphenoxy)-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-(4-propionylphenoxy)benzenesulfonamide Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O6S/c1-4-17(21)13-5-7-14(8-6-13)26-18-10-9-15(11-16(18)20(22)23)27(24,25)19-12(2)3/h5-12,19H,4H2,1-3H3