[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone

Systemtic Name: [4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone Openeye Name: [4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-[4-methyl-2-(2-thienyl)thiazol-5-yl]methanone CAS Name: [4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-(4-methyl-2-thiophen-2-yl-5-thiazolyl)methanone IUPAC Name: [4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone Traditional Name: [4-(4-mesyl-2-nitro-phenyl)piperazino]-[4-methyl-2-(2-thienyl)thiazol-5-yl]methanone Formula: C20H20N4O5S3 MolecularWeight: 492.5916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CS2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CS2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S3/c1-13-18(31-19(21-13)17-4-3-11-30-17)20(25)23-9-7-22(8-10-23)15-6-5-14(32(2,28)29)12-16(15)24(26)27/h3-6,11-12H,7-10H2,1-2H3