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

Systemtic Name: 4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Openeye Name: 4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-thienyl)thiazole CAS Name: 4-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-2-(3-thiophenyl)thiazole IUPAC Name: 4-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Traditional Name: 4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]-2-(3-thienyl)thiazole Formula: C19H20N4O4S3 MolecularWeight: 464.5815

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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=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S3/c1-14-2-3-17(23(24)25)10-18(14)30(26,27)22-7-5-21(6-8-22)11-16-13-29-19(20-16)15-4-9-28-12-15/h2-4,9-10,12-13H,5-8,11H2,1H3