4-(2-ethoxyphenoxy)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(2-ethoxyphenoxy)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(2-ethoxyphenoxy)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(2-ethoxyphenoxy)-1-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(2-ethoxyphenoxy)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(2-ethoxyphenoxy)-1-(4-nosylpiperazino)butan-1-one Formula: C22H27N3O7S MolecularWeight: 477.53068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O7S/c1-2-31-20-6-3-4-7-21(20)32-17-5-8-22(26)23-13-15-24(16-14-23)33(29,30)19-11-9-18(10-12-19)25(27)28/h3-4,6-7,9-12H,2,5,8,13-17H2,1H3