diethyl-heptyl-[4-[4-(phenylsulfonylamino)phenyl]butyl]azanium

Systemtic Name: diethyl-heptyl-[4-[4-(phenylsulfonylamino)phenyl]butyl]azanium Openeye Name: 4-[4-(benzenesulfonamido)phenyl]butyl-diethyl-heptyl-ammonium CAS Name: 4-[4-(benzenesulfonamido)phenyl]butyl-diethyl-heptylammonium IUPAC Name: 4-[4-(benzenesulfonamido)phenyl]butyl-diethyl-heptylazanium Traditional Name: 4-[4-(benzenesulfonamido)phenyl]butyl-diethyl-heptyl-ammonium Formula: C27H43N2O2S+ MolecularWeight: 459.70752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C27H43N2O2S/c1-4-7-8-9-14-23-29(5-2,6-3)24-15-13-16-25-19-21-26(22-20-25)28-32(30,31)27-17-11-10-12-18-27/h10-12,17-22,28H,4-9,13-16,23-24H2,1-3H3/q+1