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

Systemtic Name: 2-(2-chlorophenyl)-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(2-chlorophenyl)-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]thiazole CAS Name: 2-(2-chlorophenyl)-4-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]thiazole IUPAC Name: 2-(2-chlorophenyl)-4-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(2-chlorophenyl)-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]thiazole Formula: C21H21ClN4O4S2 MolecularWeight: 492.99884

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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=CSC(=N3)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CSC(=N3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H21ClN4O4S2/c1-15-6-7-17(26(27)28)12-20(15)32(29,30)25-10-8-24(9-11-25)13-16-14-31-21(23-16)18-4-2-3-5-19(18)22/h2-7,12,14H,8-11,13H2,1H3