3-(azepan-1-ylsulfonyl)-4-chloranyl-N'-pyrimidin-2-yl-benzohydrazide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N'-pyrimidin-2-yl-benzohydrazide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-pyrimidin-2-yl-benzohydrazide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N'-(2-pyrimidinyl)benzohydrazide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-pyrimidin-2-ylbenzohydrazide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-(2-pyrimidyl)benzohydrazide Formula: C17H20ClN5O3S MolecularWeight: 409.8904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NNC3=NC=CC=N3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NNC3=NC=CC=N3)Cl

InChI

InChI=1S/C17H20ClN5O3S/c18-14-7-6-13(16(24)21-22-17-19-8-5-9-20-17)12-15(14)27(25,26)23-10-3-1-2-4-11-23/h5-9,12H,1-4,10-11H2,(H,21,24)(H,19,20,22)