5-(4-chlorophenyl)-2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazole

Systemtic Name: 5-(4-chlorophenyl)-2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 5-(4-chlorophenyl)-2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]oxazole CAS Name: 5-(4-chlorophenyl)-2-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 5-(4-chlorophenyl)-2-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 5-(4-chlorophenyl)-2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]oxazole Formula: C21H22ClN4O5S+ MolecularWeight: 477.94118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4O5S/c1-15-2-7-18(26(27)28)12-20(15)32(29,30)25-10-8-24(9-11-25)14-21-23-13-19(31-21)16-3-5-17(22)6-4-16/h2-7,12-13H,8-11,14H2,1H3/p+1