4-[[3,5-bis[(4-sulfamoylphenyl)amino]-1,3,5-triazinan-1-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[3,5-bis[(4-sulfamoylphenyl)amino]-1,3,5-triazinan-1-yl]amino]benzenesulfonamide Openeye Name: 4-[[3,5-bis(4-sulfamoylanilino)-1,3,5-triazinan-1-yl]amino]benzenesulfonamide CAS Name: 4-[[3,5-bis(4-sulfamoylanilino)-1,3,5-triazinan-1-yl]amino]benzenesulfonamide IUPAC Name: 4-[[3,5-bis(4-sulfamoylanilino)-1,3,5-triazinan-1-yl]amino]benzenesulfonamide Traditional Name: 4-[[3,5-bis(4-sulfamoylanilino)-1,3,5-triazinan-1-yl]amino]benzenesulfonamide Formula: C21H27N9O6S3 MolecularWeight: 597.69078

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Descriptors Computed from Structure

Canonical SMILES:

C1N(CN(CN1NC2=CC=C(C=C2)S(=O)(=O)N)NC3=CC=C(C=C3)S(=O)(=O)N)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1N(CN(CN1NC2=CC=C(C=C2)S(=O)(=O)N)NC3=CC=C(C=C3)S(=O)(=O)N)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H27N9O6S3/c22-37(31,32)19-7-1-16(2-8-19)25-28-13-29(26-17-3-9-20(10-4-17)38(23,33)34)15-30(14-28)27-18-5-11-21(12-6-18)39(24,35)36/h1-12,25-27H,13-15H2,(H2,22,31,32)(H2,23,33,34)(H2,24,35,36)