1-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazino]-3-methyl-butan-1-one Formula: C21H32N4O5S MolecularWeight: 452.56758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H32N4O5S/c1-17(2)15-21(26)23-13-11-22(12-14-23)19-8-7-18(16-20(19)25(27)28)31(29,30)24-9-5-3-4-6-10-24/h7-8,16-17H,3-6,9-15H2,1-2H3