3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]carbonylamino]propyl-diethyl-azanium

Systemtic Name: 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carbonyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carbonyl]amino]propyl-diethylazanium Traditional Name: diethyl-[3-[(1-piazthiol-4-ylsulfonylisonipecotoyl)amino]propyl]ammonium Formula: C19H30N5O3S2+ MolecularWeight: 440.6032

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C19H29N5O3S2/c1-3-23(4-2)12-6-11-20-19(25)15-9-13-24(14-10-15)29(26,27)17-8-5-7-16-18(17)22-28-21-16/h5,7-8,15H,3-4,6,9-14H2,1-2H3,(H,20,25)/p+1