3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-benzofurazan-4-ylsulfonyl-1-[4-(5-chloro-2-methyl-phenyl)piperazino]propan-1-one Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=CC4=NON=C43

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=CC4=NON=C43

InChI

InChI=1S/C20H21ClN4O4S/c1-14-5-6-15(21)13-17(14)24-8-10-25(11-9-24)19(26)7-12-30(27,28)18-4-2-3-16-20(18)23-29-22-16/h2-6,13H,7-12H2,1H3