3-(4-methoxyphenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-methoxyphenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(4-methoxyphenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(4-methoxyphenyl)-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-methoxyphenyl)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(4-methoxyphenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]propan-1-one Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)OC

InChI

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