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

Systemtic Name: (5-methylsulfonyl-2-propan-2-yloxy-phenyl)-[4-(4-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (2-isopropoxy-5-methylsulfonyl-phenyl)-[4-(4-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (5-methylsulfonyl-2-propan-2-yloxyphenyl)-[4-(4-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (5-methylsulfonyl-2-propan-2-yloxyphenyl)-[4-(4-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (2-isopropoxy-5-mesyl-phenyl)-[4-(4-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(C=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)[N+](=O)[O-]

InChI

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