4-[(5,7-dimethyl-3,6-dihydro-2H-1,4-diazepin-6-yl)diazenyl]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[(5,7-dimethyl-3,6-dihydro-2H-1,4-diazepin-6-yl)diazenyl]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[(5,7-dimethyl-3,6-dihydro-2H-1,4-diazepin-6-yl)azo]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[(5,7-dimethyl-3,6-dihydro-2H-1,4-diazepin-6-yl)azo]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[(5,7-dimethyl-3,6-dihydro-2H-1,4-diazepin-6-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[(5,7-dimethyl-3,6-dihydro-2H-1,4-diazepin-6-yl)azo]-N-(2-pyrimidyl)benzenesulfonamide Formula: C17H19N7O2S MolecularWeight: 385.44346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NCCN=C(C1N=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C

Isomeric SMILES

CC1=NCCN=C(C1N=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C

InChI

InChI=1S/C17H19N7O2S/c1-12-16(13(2)19-11-10-18-12)23-22-14-4-6-15(7-5-14)27(25,26)24-17-20-8-3-9-21-17/h3-9,16H,10-11H2,1-2H3,(H,20,21,24)