2-methyl-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-phenyl-propan-1-one

Systemtic Name: 2-methyl-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-phenyl-propan-1-one Openeye Name: 2-methyl-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-phenyl-propan-1-one CAS Name: 2-methyl-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-2-phenyl-1-propanone IUPAC Name: 2-methyl-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-phenylpropan-1-one Traditional Name: 1-[4-(4-mesyl-2-nitro-phenyl)piperazino]-2-methyl-2-phenyl-propan-1-one Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-21(2,16-7-5-4-6-8-16)20(25)23-13-11-22(12-14-23)18-10-9-17(30(3,28)29)15-19(18)24(26)27/h4-10,15H,11-14H2,1-3H3