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

Systemtic Name: 3-(2-ethoxyphenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(2-ethoxyphenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(2-ethoxyphenyl)-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(2-ethoxyphenyl)-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 1-[4-(4-mesyl-2-nitro-phenyl)piperazino]-3-o-phenetyl-propan-1-one Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1CCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6S/c1-3-31-21-7-5-4-6-17(21)8-11-22(26)24-14-12-23(13-15-24)19-10-9-18(32(2,29)30)16-20(19)25(27)28/h4-7,9-10,16H,3,8,11-15H2,1-2H3