N-[6-(2-methoxy-4-methyl-phenoxy)pyridin-3-yl]-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[6-(2-methoxy-4-methyl-phenoxy)pyridin-3-yl]-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[6-(2-methoxy-4-methyl-phenoxy)-3-pyridyl]-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[6-(2-methoxy-4-methylphenoxy)pyridin-3-yl]-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-[6-(2-methoxy-4-methyl-phenoxy)-3-pyridyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=NC=C(C=C2)NS(=O)(=O)C3=C(C(=CC(=C3)[N+](=O)[O-])C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=NC=C(C=C2)NS(=O)(=O)C3=C(C(=CC(=C3)[N+](=O)[O-])C)C)OC

InChI

InChI=1S/C21H21N3O6S/c1-13-5-7-18(19(9-13)29-4)30-21-8-6-16(12-22-21)23-31(27,28)20-11-17(24(25)26)10-14(2)15(20)3/h5-12,23H,1-4H3