3,5-dimethyl-4-[[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methyl]-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methyl]isoxazole CAS Name: 3,5-dimethyl-4-[[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazinyl]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]methyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazino]methyl]isoxazole Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O5S/c1-15-18(16(2)30-21-15)14-22-9-11-23(12-10-22)19-6-5-17(13-20(19)25(26)27)31(28,29)24-7-3-4-8-24/h5-6,13H,3-4,7-12,14H2,1-2H3