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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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