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

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(4-chloro-2-methylphenoxy)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-2-methylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C19H20ClN3O6S MolecularWeight: 453.8966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O6S/c1-14-11-15(20)5-6-18(14)29-13-19(24)21-7-9-22(10-8-21)30(27,28)17-4-2-3-16(12-17)23(25)26/h2-6,11-12H,7-10,13H2,1H3