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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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