2-(3-methyl-4-propan-2-yl-phenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3-methyl-4-propan-2-yl-phenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-isopropyl-3-methyl-phenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3-methyl-4-propan-2-ylphenoxy)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3-methyl-4-propan-2-ylphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(4-isopropyl-3-methyl-phenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazino]ethanone Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S/c1-16(2)19-9-8-18(14-17(19)3)31-15-22(26)23-10-12-24(13-11-23)32(29,30)21-7-5-4-6-20(21)25(27)28/h4-9,14,16H,10-13,15H2,1-3H3