4-tert-butyl-2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole

Systemtic Name: 4-tert-butyl-2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole Openeye Name: 4-tert-butyl-2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]thiazole CAS Name: 4-tert-butyl-2-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]thiazole IUPAC Name: 4-tert-butyl-2-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole Traditional Name: 4-tert-butyl-2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]thiazole Formula: C19H26N4O4S2 MolecularWeight: 438.56414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=NC(=CS3)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=NC(=CS3)C(C)(C)C

InChI

InChI=1S/C19H26N4O4S2/c1-14-5-6-15(23(24)25)11-16(14)29(26,27)22-9-7-21(8-10-22)12-18-20-17(13-28-18)19(2,3)4/h5-6,11,13H,7-10,12H2,1-4H3