3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(2,1,3-benzoxadiazol-4-ylsulfonyl)propan-1-one CAS Name: 1-[4-(4-acetylphenyl)-1-piperazinyl]-3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-propanone IUPAC Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(2,1,3-benzoxadiazol-4-ylsulfonyl)propan-1-one Traditional Name: 1-[4-(4-acetylphenyl)piperazino]-3-benzofurazan-4-ylsulfonyl-propan-1-one Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=CC4=NON=C43

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=CC4=NON=C43

InChI

InChI=1S/C21H22N4O5S/c1-15(26)16-5-7-17(8-6-16)24-10-12-25(13-11-24)20(27)9-14-31(28,29)19-4-2-3-18-21(19)23-30-22-18/h2-8H,9-14H2,1H3