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

Systemtic Name: 4-[[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]methyl]-3,5-dimethyl-isoxazole CAS Name: 4-[[4-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1-piperazinyl]methyl]-3,5-dimethylisoxazole IUPAC Name: 4-[[4-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazino]methyl]-3,5-dimethyl-isoxazole Formula: C22H31N5O5S MolecularWeight: 477.57704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H31N5O5S/c1-17-20(18(2)32-23-17)16-24-11-13-25(14-12-24)21-8-7-19(15-22(21)27(28)29)33(30,31)26-9-5-3-4-6-10-26/h7-8,15H,3-6,9-14,16H2,1-2H3