4-(1,3-benzoxazol-2-ylsulfanyl)-N-tert-butyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-tert-butyl-3-nitro-benzenesulfonamide Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-tert-butyl-3-nitro-benzenesulfonamide CAS Name: 4-(1,3-benzoxazol-2-ylthio)-N-tert-butyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-tert-butyl-3-nitrobenzenesulfonamide Traditional Name: 4-(1,3-benzoxazol-2-ylthio)-N-tert-butyl-3-nitro-benzenesulfonamide Formula: C17H17N3O5S2 MolecularWeight: 407.46398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S2/c1-17(2,3)19-27(23,24)11-8-9-15(13(10-11)20(21)22)26-16-18-12-6-4-5-7-14(12)25-16/h4-10,19H,1-3H3