3-(furan-2-yl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(furan-2-yl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(2-furyl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(2-furanyl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(furan-2-yl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(2-furyl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]propan-1-one Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CO3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CO3)C)C

InChI

InChI=1S/C21H28N2O4S/c1-15-14-16(2)18(4)21(17(15)3)28(25,26)23-11-9-22(10-12-23)20(24)8-7-19-6-5-13-27-19/h5-6,13-14H,7-12H2,1-4H3