1,5-dimethyl-2-[4-[4-(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)piperazin-1-yl]sulfonylphenyl]-4-propan-2-yl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-[4-[4-(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)piperazin-1-yl]sulfonylphenyl]-4-propan-2-yl-pyrazol-3-one Openeye Name: 4-isopropyl-1,5-dimethyl-2-[4-[4-[4-(morpholine-4-carbonyl)-2-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]pyrazol-3-one CAS Name: 1,5-dimethyl-2-[4-[[4-[4-[4-morpholinyl(oxo)methyl]-2-nitrophenyl]-1-piperazinyl]sulfonyl]phenyl]-4-propan-2-yl-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-[4-[4-[4-(morpholine-4-carbonyl)-2-nitrophenyl]piperazin-1-yl]sulfonylphenyl]-4-propan-2-ylpyrazol-3-one Traditional Name: 4-isopropyl-1,5-dimethyl-2-[4-[4-[4-(morpholine-4-carbonyl)-2-nitro-phenyl]piperazino]sulfonylphenyl]-3-pyrazolin-3-one Formula: C29H36N6O7S MolecularWeight: 612.69714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(=O)N5CCOCC5)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(=O)N5CCOCC5)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C29H36N6O7S/c1-20(2)27-21(3)30(4)34(29(27)37)23-6-8-24(9-7-23)43(40,41)33-13-11-31(12-14-33)25-10-5-22(19-26(25)35(38)39)28(36)32-15-17-42-18-16-32/h5-10,19-20H,11-18H2,1-4H3