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

Systemtic Name: 2-(5-methyl-2-nitro-phenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-2-nitro-phenoxy)ethanone CAS Name: 2-(5-methyl-2-nitrophenoxy)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-2-nitrophenoxy)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(5-methyl-2-nitro-phenoxy)ethanone Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O6S/c1-16-7-8-18(23(25)26)19(13-16)29-14-20(24)21-9-11-22(12-10-21)30(27,28)15-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3