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

Systemtic Name: 1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Openeye Name: 1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one CAS Name: 1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-3-(1-phenyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Traditional Name: 1-[4-(4-mesyl-2-nitro-phenyl)piperazino]-3-(1-phenylpyrazol-4-yl)propan-1-one Formula: C23H25N5O5S MolecularWeight: 483.5401

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O5S/c1-34(32,33)20-8-9-21(22(15-20)28(30)31)25-11-13-26(14-12-25)23(29)10-7-18-16-24-27(17-18)19-5-3-2-4-6-19/h2-6,8-9,15-17H,7,10-14H2,1H3