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

Systemtic Name: 4-[[[4,6-bis(2-piperazin-1-ylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide Openeye Name: 4-[[[4,6-bis(2-piperazin-1-ylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide CAS Name: 4-[[[4,6-bis[2-(1-piperazinyl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide IUPAC Name: 4-[[[4,6-bis(2-piperazin-1-ylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide Traditional Name: 4-[[[4,6-bis(2-piperazinoethylamino)-s-triazin-2-yl]amino]methyl]benzenesulfonamide Formula: C22H37N11O2S MolecularWeight: 519.66668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCNC2=NC(=NC(=N2)NCC3=CC=C(C=C3)S(=O)(=O)N)NCCN4CCNCC4

Isomeric SMILES

C1CN(CCN1)CCNC2=NC(=NC(=N2)NCC3=CC=C(C=C3)S(=O)(=O)N)NCCN4CCNCC4

InChI

InChI=1S/C22H37N11O2S/c23-36(34,35)19-3-1-18(2-4-19)17-28-22-30-20(26-9-15-32-11-5-24-6-12-32)29-21(31-22)27-10-16-33-13-7-25-8-14-33/h1-4,24-25H,5-17H2,(H2,23,34,35)(H3,26,27,28,29,30,31)