1-[4-(phenylsulfonyl)piperazin-1-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfonyl]propan-1-one

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfonyl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfonyl]propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfonyl]-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfonyl]propan-1-one Traditional Name: 1-(4-besylpiperazino)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfonyl]propan-1-one Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O5S2/c1-17(32(28,29)21-23-22-16-26(21)18-8-4-2-5-9-18)20(27)24-12-14-25(15-13-24)33(30,31)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3