(E)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-(4-mesyl-2-nitro-phenyl)piperazino]-3-phenyl-prop-2-en-1-one Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C=CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-29(27,28)17-8-9-18(19(15-17)23(25)26)21-11-13-22(14-12-21)20(24)10-7-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3/b10-7+