2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-2-isopropyl-5-methyl-phenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-2-isopropyl-5-methyl-phenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazino]ethanone Formula: C22H26ClN3O6S MolecularWeight: 495.97634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H26ClN3O6S/c1-15(2)17-13-18(23)16(3)12-20(17)32-14-22(27)24-8-10-25(11-9-24)33(30,31)21-7-5-4-6-19(21)26(28)29/h4-7,12-13,15H,8-11,14H2,1-3H3