4-[[4,6-bis(2-diethylaminoethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4,6-bis(2-diethylaminoethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[4,6-bis(2-diethylaminoethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[4,6-bis(2-diethylaminoethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide IUPAC Name: 4-[[4,6-bis(2-diethylaminoethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[4,6-bis(2-diethylaminoethylamino)-s-triazin-2-yl]amino]benzenesulfonamide Formula: C21H37N9O2S MolecularWeight: 479.64258

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC(=NC(=N1)NC2=CC=C(C=C2)S(=O)(=O)N)NCCN(CC)CC

Isomeric SMILES

CCN(CC)CCNC1=NC(=NC(=N1)NC2=CC=C(C=C2)S(=O)(=O)N)NCCN(CC)CC

InChI

InChI=1S/C21H37N9O2S/c1-5-29(6-2)15-13-23-19-26-20(24-14-16-30(7-3)8-4)28-21(27-19)25-17-9-11-18(12-10-17)33(22,31)32/h9-12H,5-8,13-16H2,1-4H3,(H2,22,31,32)(H3,23,24,25,26,27,28)