2-[4-[(5,7-dimethyl-3,6-dihydro-2H-1,4-diazepin-6-yl)diazenyl]phenyl]sulfonylguanidine

Systemtic Name: 2-[4-[(5,7-dimethyl-3,6-dihydro-2H-1,4-diazepin-6-yl)diazenyl]phenyl]sulfonylguanidine Openeye Name: 2-[4-[(5,7-dimethyl-3,6-dihydro-2H-1,4-diazepin-6-yl)azo]phenyl]sulfonylguanidine CAS Name: 2-[4-[(5,7-dimethyl-3,6-dihydro-2H-1,4-diazepin-6-yl)azo]phenyl]sulfonylguanidine IUPAC Name: 2-[4-[(5,7-dimethyl-3,6-dihydro-2H-1,4-diazepin-6-yl)diazenyl]phenyl]sulfonylguanidine Traditional Name: 2-[4-[(5,7-dimethyl-3,6-dihydro-2H-1,4-diazepin-6-yl)azo]phenyl]sulfonylguanidine Formula: C14H19N7O2S MolecularWeight: 349.41136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NCCN=C(C1N=NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)C

Isomeric SMILES

CC1=NCCN=C(C1N=NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)C

InChI

InChI=1S/C14H19N7O2S/c1-9-13(10(2)18-8-7-17-9)20-19-11-3-5-12(6-4-11)24(22,23)21-14(15)16/h3-6,13H,7-8H2,1-2H3,(H4,15,16,21)