[(4S)-4-[[4-(1-adamantyl)phenyl]sulfonylamino]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[[4-(1-adamantyl)phenyl]sulfonylamino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[[4-(1-adamantyl)phenyl]sulfonylamino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[4-(1-adamantyl)phenyl]sulfonylamino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[[4-(1-adamantyl)phenyl]sulfonylamino]pentyl]-diethylazanium Traditional Name: [(4S)-4-[[4-(1-adamantyl)phenyl]sulfonylamino]pentyl]-diethyl-ammonium Formula: C25H41N2O2S+ MolecularWeight: 433.67024

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NS(=O)(=O)C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H40N2O2S/c1-4-27(5-2)12-6-7-19(3)26-30(28,29)24-10-8-23(9-11-24)25-16-20-13-21(17-25)15-22(14-20)18-25/h8-11,19-22,26H,4-7,12-18H2,1-3H3/p+1/t19-,20?,21?,22?,25?/m0/s1