[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]sulfamoylmethyl]phenyl]methylazanium

Systemtic Name: [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]sulfamoylmethyl]phenyl]methylazanium Openeye Name: [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]sulfamoylmethyl]phenyl]methylammonium CAS Name: [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]sulfamoylmethyl]phenyl]methylammonium IUPAC Name: [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]sulfamoylmethyl]phenyl]methylazanium Traditional Name: [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]sulfamoylmethyl]benzyl]ammonium Formula: C16H27N2O2S+ MolecularWeight: 311.46278

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NS(=O)(=O)CC2=CC=CC=C2C[NH3+]

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)NS(=O)(=O)CC2=CC=CC=C2C[NH3+]

InChI

InChI=1S/C16H26N2O2S/c1-12-6-5-9-16(13(12)2)18-21(19,20)11-15-8-4-3-7-14(15)10-17/h3-4,7-8,12-13,16,18H,5-6,9-11,17H2,1-2H3/p+1/t12-,13+,16-/m0/s1