2-[4-[3-(ethylsulfonylamino)phenyl]carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[3-(ethylsulfonylamino)phenyl]carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[3-(ethylsulfonylamino)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[3-(ethylsulfonylamino)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[3-(ethylsulfonylamino)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[3-(esylamino)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4S/c1-2-31(29,30)24-20-10-6-9-19(15-20)22(28)26-13-11-25(12-14-26)17-21(27)23-16-18-7-4-3-5-8-18/h3-10,15,24H,2,11-14,16-17H2,1H3,(H,23,27)/p+1