1-[4-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]phenyl]propan-1-one Openeye Name: 1-[4-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethoxy]phenyl]propan-1-one CAS Name: 1-[4-[2-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one Traditional Name: 1-[4-[2-keto-2-[4-(2-nitrophenyl)sulfonylpiperazino]ethoxy]phenyl]propan-1-one Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7S/c1-2-19(25)16-7-9-17(10-8-16)31-15-21(26)22-11-13-23(14-12-22)32(29,30)20-6-4-3-5-18(20)24(27)28/h3-10H,2,11-15H2,1H3