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

Systemtic Name: 3-(4-methoxyphenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-methoxyphenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-methoxyphenyl)-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-methoxyphenyl)-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 1-[4-(4-mesyl-2-nitro-phenyl)piperazino]-3-(4-methoxyphenyl)propan-1-one Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-30-17-6-3-16(4-7-17)5-10-21(25)23-13-11-22(12-14-23)19-9-8-18(31(2,28)29)15-20(19)24(26)27/h3-4,6-9,15H,5,10-14H2,1-2H3