2-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C22H34N5O6S+ MolecularWeight: 496.60026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H33N5O6S/c1-18-4-6-26(7-5-18)34(31,32)19-2-3-20(21(16-19)27(29)30)24-10-8-23(9-11-24)17-22(28)25-12-14-33-15-13-25/h2-3,16,18H,4-15,17H2,1H3/p+1