N-tert-butyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[(3,5-dimethylisoxazol-4-yl)methylthio]-3-nitro-benzenesulfonamide Formula: C16H21N3O5S2 MolecularWeight: 399.48504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O5S2/c1-10-13(11(2)24-17-10)9-25-15-7-6-12(8-14(15)19(20)21)26(22,23)18-16(3,4)5/h6-8,18H,9H2,1-5H3