[(1S)-1-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(p-phenetylsulfonylamino)ethyl]-dimethyl-ammonium Formula: C20H29N2O5S+ MolecularWeight: 409.51966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC(=C(C=C2)OC)OC)[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC[C@H](C2=CC(=C(C=C2)OC)OC)[NH+](C)C

InChI

InChI=1S/C20H28N2O5S/c1-6-27-16-8-10-17(11-9-16)28(23,24)21-14-18(22(2)3)15-7-12-19(25-4)20(13-15)26-5/h7-13,18,21H,6,14H2,1-5H3/p+1/t18-/m1/s1