2-[4-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[4-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C23H32N5O5S+ MolecularWeight: 490.59568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H31N5O5S/c1-18-15-21(25-33-18)24-22(29)17-26-11-13-27(14-12-26)23(30)19-7-6-8-20(16-19)34(31,32)28-9-4-2-3-5-10-28/h6-8,15-16H,2-5,9-14,17H2,1H3,(H,24,25,29)/p+1