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

Systemtic Name: (5-methylsulfonyl-2-propan-2-yloxy-phenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (2-isopropoxy-5-methylsulfonyl-phenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (5-methylsulfonyl-2-propan-2-yloxyphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (5-methylsulfonyl-2-propan-2-yloxyphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (2-isopropoxy-5-mesyl-phenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C22H24N4O6S2 MolecularWeight: 504.57916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O6S2/c1-14(2)32-19-7-5-16(34(3,30)31)13-17(19)21(27)24-8-10-25(11-9-24)22-23-18-6-4-15(26(28)29)12-20(18)33-22/h4-7,12-14H,8-11H2,1-3H3