1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanone

Systemtic Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanone Openeye Name: 2-(2-isopropyl-5-methyl-phenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone IUPAC Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]ethanone Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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