N'-[4-(azepan-1-ylsulfonyl)phenyl]carbonyl-1H-pyrrole-2-carbohydrazide

Systemtic Name: N'-[4-(azepan-1-ylsulfonyl)phenyl]carbonyl-1H-pyrrole-2-carbohydrazide Openeye Name: N'-[4-(azepan-1-ylsulfonyl)benzoyl]-1H-pyrrole-2-carbohydrazide CAS Name: N'-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]-1H-pyrrole-2-carbohydrazide IUPAC Name: N'-[4-(azepan-1-ylsulfonyl)benzoyl]-1H-pyrrole-2-carbohydrazide Traditional Name: N'-[4-(azepan-1-ylsulfonyl)benzoyl]-1H-pyrrole-2-carbohydrazide Formula: C18H22N4O4S MolecularWeight: 390.45668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CN3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CN3

InChI

InChI=1S/C18H22N4O4S/c23-17(20-21-18(24)16-6-5-11-19-16)14-7-9-15(10-8-14)27(25,26)22-12-3-1-2-4-13-22/h5-11,19H,1-4,12-13H2,(H,20,23)(H,21,24)