N-tert-butyl-4-[4-(cyanomethyl)phenoxy]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[4-(cyanomethyl)phenoxy]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[4-(cyanomethyl)phenoxy]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[4-(cyanomethyl)phenoxy]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[4-(cyanomethyl)phenoxy]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[4-(cyanomethyl)phenoxy]-3-nitro-benzenesulfonamide Formula: C18H19N3O5S MolecularWeight: 389.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)CC#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-18(2,3)20-27(24,25)15-8-9-17(16(12-15)21(22)23)26-14-6-4-13(5-7-14)10-11-19/h4-9,12,20H,10H2,1-3H3