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

Systemtic Name: N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-nitro-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-N-(5-tert-butyl-4-methyl-thiazol-2-yl)-3-nitro-benzenesulfonamide CAS Name: N-(5-tert-butyl-4-methyl-2-thiazolyl)-3-nitro-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-nitrobenzenesulfonamide Traditional Name: N-benzyl-N-(5-tert-butyl-4-methyl-thiazol-2-yl)-3-nitro-benzenesulfonamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC1=C(SC(=N1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C21H23N3O4S2/c1-15-19(21(2,3)4)29-20(22-15)23(14-16-9-6-5-7-10-16)30(27,28)18-12-8-11-17(13-18)24(25)26/h5-13H,14H2,1-4H3