[(1S)-2-[[5-(1-adamantylsulfamoyl)-2-chloranyl-phenyl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[5-(1-adamantylsulfamoyl)-2-chloranyl-phenyl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[5-(1-adamantylsulfamoyl)-2-chloro-benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[5-(1-adamantylsulfamoyl)-2-chlorophenyl]-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[5-(1-adamantylsulfamoyl)-2-chlorobenzoyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[5-(1-adamantylsulfamoyl)-2-chloro-benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C27H35ClN3O3S+ MolecularWeight: 517.1031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3)Cl)C5=CC=CC=C5

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H34ClN3O3S/c1-31(2)25(21-6-4-3-5-7-21)17-29-26(32)23-13-22(8-9-24(23)28)35(33,34)30-27-14-18-10-19(15-27)12-20(11-18)16-27/h3-9,13,18-20,25,30H,10-12,14-17H2,1-2H3,(H,29,32)/p+1/t18?,19?,20?,25-,27?/m1/s1