N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[(4-isopropoxy-3-methoxy-phenyl)methyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(4-isopropoxy-3-methoxy-benzyl)-2-methyl-5-nitro-benzenesulfonamide Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC(=C(C=C2)OC(C)C)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC(=C(C=C2)OC(C)C)OC

InChI

InChI=1S/C18H22N2O6S/c1-12(2)26-16-8-6-14(9-17(16)25-4)11-19-27(23,24)18-10-15(20(21)22)7-5-13(18)3/h5-10,12,19H,11H2,1-4H3