diethyl-heptyl-[(E)-4-[4-(methylsulfonylamino)phenyl]-1-methylsulfonyloxy-but-2-enyl]azanium

Systemtic Name: diethyl-heptyl-[(E)-4-[4-(methylsulfonylamino)phenyl]-1-methylsulfonyloxy-but-2-enyl]azanium Openeye Name: diethyl-heptyl-[(E)-4-[4-(methanesulfonamido)phenyl]-1-methylsulfonyloxy-but-2-enyl]ammonium CAS Name: diethyl-heptyl-[(E)-4-[4-(methanesulfonamido)phenyl]-1-methylsulfonyloxybut-2-enyl]ammonium IUPAC Name: diethyl-heptyl-[(E)-4-[4-(methanesulfonamido)phenyl]-1-methylsulfonyloxybut-2-enyl]azanium Traditional Name: diethyl-heptyl-[(E)-4-[4-(methanesulfonamido)phenyl]-1-methylsulfonyloxy-but-2-enyl]ammonium Formula: C23H41N2O5S2+ MolecularWeight: 489.71204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC)(CC)C(C=CCC1=CC=C(C=C1)NS(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

CCCCCCC[N+](CC)(CC)C(/C=C/CC1=CC=C(C=C1)NS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C23H41N2O5S2/c1-6-9-10-11-12-20-25(7-2,8-3)23(30-32(5,28)29)15-13-14-21-16-18-22(19-17-21)24-31(4,26)27/h13,15-19,23-24H,6-12,14,20H2,1-5H3/q+1/b15-13+