1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone

Systemtic Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone Openeye Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone CAS Name: 1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-2-(2,4,6-trimethylphenoxy)ethanone IUPAC Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone Traditional Name: 1-[4-(2-nitrophenyl)sulfonylpiperazino]-2-(2,4,6-trimethylphenoxy)ethanone Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-15-12-16(2)21(17(3)13-15)30-14-20(25)22-8-10-23(11-9-22)31(28,29)19-7-5-4-6-18(19)24(26)27/h4-7,12-13H,8-11,14H2,1-3H3