N-tert-butyl-4-(2-methoxy-4-methyl-phenoxy)-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-(2-methoxy-4-methyl-phenoxy)-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-(2-methoxy-4-methyl-phenoxy)-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-(2-methoxy-4-methylphenoxy)-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-(2-methoxy-4-methylphenoxy)-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-(2-methoxy-4-methyl-phenoxy)-3-nitro-benzenesulfonamide Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O6S/c1-12-6-8-16(17(10-12)25-5)26-15-9-7-13(11-14(15)20(21)22)27(23,24)19-18(2,3)4/h6-11,19H,1-5H3