3-(4-ethylphenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-ethylphenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-ethylphenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-ethylphenyl)-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-ethylphenyl)-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(4-ethylphenyl)-1-[4-(4-mesyl-2-nitro-phenyl)piperazino]propan-1-one Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5S/c1-3-17-4-6-18(7-5-17)8-11-22(26)24-14-12-23(13-15-24)20-10-9-19(31(2,29)30)16-21(20)25(27)28/h4-7,9-10,16H,3,8,11-15H2,1-2H3