N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-N-ethyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-N-ethyl-3-nitro-benzenesulfonamide Openeye Name: N-(5-tert-butyl-4-methyl-thiazol-2-yl)-N-ethyl-3-nitro-benzenesulfonamide CAS Name: N-(5-tert-butyl-4-methyl-2-thiazolyl)-N-ethyl-3-nitrobenzenesulfonamide IUPAC Name: N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-N-ethyl-3-nitrobenzenesulfonamide Traditional Name: N-(5-tert-butyl-4-methyl-thiazol-2-yl)-N-ethyl-3-nitro-benzenesulfonamide Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC(=C(S1)C(C)(C)C)C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=NC(=C(S1)C(C)(C)C)C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O4S2/c1-6-18(15-17-11(2)14(24-15)16(3,4)5)25(22,23)13-9-7-8-12(10-13)19(20)21/h7-10H,6H2,1-5H3