3-(4-methylphenyl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-methylphenyl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-(p-tolyl)propan-1-one CAS Name: 3-(4-methylphenyl)-1-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-methylphenyl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 1-(4-nosylpiperazino)-3-(p-tolyl)propan-1-one Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-16-2-4-17(5-3-16)6-11-20(24)21-12-14-22(15-13-21)29(27,28)19-9-7-18(8-10-19)23(25)26/h2-5,7-10H,6,11-15H2,1H3