2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C22H34N5O6S+ MolecularWeight: 496.60026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H33N5O6S/c28-22(25-13-15-33-16-14-25)18-23-9-11-24(12-10-23)20-6-5-19(17-21(20)27(29)30)34(31,32)26-7-3-1-2-4-8-26/h5-6,17H,1-4,7-16,18H2/p+1