1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone

Systemtic Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone Openeye Name: 2-(3-isopropylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-(3-propan-2-ylphenoxy)ethanone IUPAC Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone Traditional Name: 2-(3-isopropylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C21H25N3O6S MolecularWeight: 447.5047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-16(2)17-5-3-7-19(13-17)30-15-21(25)22-9-11-23(12-10-22)31(28,29)20-8-4-6-18(14-20)24(26)27/h3-8,13-14,16H,9-12,15H2,1-2H3