[(4S)-4-[2-[(3,4-dimethoxyphenyl)carbonylamino]ethylsulfonylamino]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[2-[(3,4-dimethoxyphenyl)carbonylamino]ethylsulfonylamino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]ethylsulfonylamino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]pentyl]-diethylazanium Traditional Name: diethyl-[(4S)-4-[2-(veratroylamino)ethylsulfonylamino]pentyl]ammonium Formula: C20H36N3O5S+ MolecularWeight: 430.58194

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NS(=O)(=O)CCNC(=O)C1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)CCNC(=O)C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C20H35N3O5S/c1-6-23(7-2)13-8-9-16(3)22-29(25,26)14-12-21-20(24)17-10-11-18(27-4)19(15-17)28-5/h10-11,15-16,22H,6-9,12-14H2,1-5H3,(H,21,24)/p+1/t16-/m0/s1