4-[4-(ethylsulfonylamino)phenyl]butyl-methyl-(2-methylpropyl)-propyl-azanium sulfate

Systemtic Name: 4-[4-(ethylsulfonylamino)phenyl]butyl-methyl-(2-methylpropyl)-propyl-azanium sulfate Openeye Name: 4-[4-(ethylsulfonylamino)phenyl]butyl-isobutyl-methyl-propyl-ammonium sulfate CAS Name: 4-[4-(ethylsulfonylamino)phenyl]butyl-methyl-(2-methylpropyl)-propylammonium sulfate IUPAC Name: 4-[4-(ethylsulfonylamino)phenyl]butyl-methyl-(2-methylpropyl)-propylazanium sulfate Traditional Name: 4-[4-(esylamino)phenyl]butyl-isobutyl-methyl-propyl-ammonium sulfate Formula: C40H74N4O8S3 MolecularWeight: 835.23256

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(CCCCC1=CC=C(C=C1)NS(=O)(=O)CC)CC(C)C.CCC[N+](C)(CCCCC1=CC=C(C=C1)NS(=O)(=O)CC)CC(C)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCC[N+](C)(CCCCC1=CC=C(C=C1)NS(=O)(=O)CC)CC(C)C.CCC[N+](C)(CCCCC1=CC=C(C=C1)NS(=O)(=O)CC)CC(C)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C20H37N2O2S.H2O4S/c2*1-6-15-22(5,17-18(3)4)16-9-8-10-19-11-13-20(14-12-19)21-25(23,24)7-2;1-5(2,3)4/h2*11-14,18,21H,6-10,15-17H2,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2