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

Systemtic Name: 2-ethyl-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole Openeye Name: 2-ethyl-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]thiazole CAS Name: 2-ethyl-4-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]thiazole IUPAC Name: 2-ethyl-4-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole Traditional Name: 2-ethyl-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]thiazole Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=NC(=CS1)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H22N4O4S2/c1-3-17-18-14(12-26-17)11-19-6-8-20(9-7-19)27(24,25)16-10-15(21(22)23)5-4-13(16)2/h4-5,10,12H,3,6-9,11H2,1-2H3