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

Systemtic Name: 4-[[4,6-bis(2-piperazin-1-ylethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[4,6-bis(2-piperazin-1-ylethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[4,6-bis[2-(1-piperazinyl)ethylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide IUPAC Name: 4-[[4,6-bis(2-piperazin-1-ylethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[4,6-bis(2-piperazinoethylamino)-s-triazin-2-yl]amino]benzenesulfonamide Formula: C21H35N11O2S MolecularWeight: 505.6401

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCNC2=NC(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)NCCN4CCNCC4

Isomeric SMILES

C1CN(CCN1)CCNC2=NC(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)NCCN4CCNCC4

InChI

InChI=1S/C21H35N11O2S/c22-35(33,34)18-3-1-17(2-4-18)27-21-29-19(25-9-15-31-11-5-23-6-12-31)28-20(30-21)26-10-16-32-13-7-24-8-14-32/h1-4,23-24H,5-16H2,(H2,22,33,34)(H3,25,26,27,28,29,30)