(2-methyl-3-nitro-phenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (2-methyl-3-nitro-phenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (2-methyl-3-nitro-phenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (2-methyl-3-nitrophenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (2-methyl-3-nitrophenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]-(2-methyl-3-nitro-phenyl)methanone Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C20H20N4O5S2/c1-13-15(4-3-5-17(13)24(26)27)19(25)22-8-10-23(11-9-22)20-21-16-7-6-14(31(2,28)29)12-18(16)30-20/h3-7,12H,8-11H2,1-2H3