2-(3-methyl-4-propan-2-yl-phenoxy)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3-methyl-4-propan-2-yl-phenoxy)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-isopropyl-3-methyl-phenoxy)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(3-methyl-4-propan-2-ylphenoxy)-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-methyl-4-propan-2-ylphenoxy)-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-isopropyl-3-methyl-phenoxy)-1-[4-(4-mesyl-2-nitro-phenyl)piperazino]ethanone Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O6S/c1-16(2)20-7-5-18(13-17(20)3)32-15-23(27)25-11-9-24(10-12-25)21-8-6-19(33(4,30)31)14-22(21)26(28)29/h5-8,13-14,16H,9-12,15H2,1-4H3