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

Systemtic Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenoxy)ethanone Openeye Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenoxy)ethanone CAS Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-2-(4-methylphenoxy)ethanone IUPAC Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenoxy)ethanone Traditional Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-2-(4-methylphenoxy)ethanone Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S/c1-15-3-7-18(8-4-15)29-14-20(24)21-9-11-22(12-10-21)30(27,28)19-13-17(23(25)26)6-5-16(19)2/h3-8,13H,9-12,14H2,1-2H3