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

Systemtic Name: 2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole Openeye Name: 2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-thiazole CAS Name: 2-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-4-phenylthiazole IUPAC Name: 2-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole Traditional Name: 2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]-4-phenyl-thiazole Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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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)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O4S2/c1-16-7-8-18(25(26)27)13-20(16)31(28,29)24-11-9-23(10-12-24)14-21-22-19(15-30-21)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3