2-[4-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C23H35N4O5S+ MolecularWeight: 479.6128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O5S/c28-22(25-14-16-32-17-15-25)19-24-10-12-26(13-11-24)23(29)20-6-5-7-21(18-20)33(30,31)27-8-3-1-2-4-9-27/h5-7,18H,1-4,8-17,19H2/p+1