4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-(dipropylamino)butyl]benzenesulfonamide

Systemtic Name: 4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-(dipropylamino)butyl]benzenesulfonamide Openeye Name: 4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-(dipropylamino)butyl]benzenesulfonamide CAS Name: 4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-(dipropylamino)butyl]benzenesulfonamide IUPAC Name: 4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-(dipropylamino)butyl]benzenesulfonamide Traditional Name: 4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-(dipropylamino)butyl]benzenesulfonamide Formula: C25H39N7O2S MolecularWeight: 501.68786

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CCCCNS(=O)(=O)C1=CC=C(C=C1)CN(CC2=NC=CN2)CC3=NC=CN3

Isomeric SMILES

CCCN(CCC)CCCCNS(=O)(=O)C1=CC=C(C=C1)CN(CC2=NC=CN2)CC3=NC=CN3

InChI

InChI=1S/C25H39N7O2S/c1-3-16-31(17-4-2)18-6-5-11-30-35(33,34)23-9-7-22(8-10-23)19-32(20-24-26-12-13-27-24)21-25-28-14-15-29-25/h7-10,12-15,30H,3-6,11,16-21H2,1-2H3,(H,26,27)(H,28,29)