4-[2,5-dimethyl-3-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanoyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[2,5-dimethyl-3-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanoyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[2,5-dimethyl-3-[2-[4-(2-thienylsulfonyl)piperazin-1-yl]acetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[2,5-dimethyl-3-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[2,5-dimethyl-3-[2-[4-(2-thienylsulfonyl)piperazino]acetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C27H31N5O4S2 MolecularWeight: 553.69614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CN4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CN4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C27H31N5O4S2/c1-19-17-23(24(33)18-29-12-14-30(15-13-29)38(35,36)25-11-8-16-37-25)20(2)31(19)26-21(3)28(4)32(27(26)34)22-9-6-5-7-10-22/h5-11,16-17H,12-15,18H2,1-4H3