4-bromanyl-N'-(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)carbonyl-1H-pyrrole-2-carbohydrazide

Systemtic Name: 4-bromanyl-N'-(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)carbonyl-1H-pyrrole-2-carbohydrazide Openeye Name: 4-bromo-N'-(4-ethyl-3-morpholinosulfonyl-benzoyl)-1H-pyrrole-2-carbohydrazide CAS Name: 4-bromo-N'-[[4-ethyl-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-1H-pyrrole-2-carbohydrazide IUPAC Name: 4-bromo-N'-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide Traditional Name: 4-bromo-N'-(4-ethyl-3-morpholinosulfonyl-benzoyl)-1H-pyrrole-2-carbohydrazide Formula: C18H21BrN4O5S MolecularWeight: 485.35214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC(=CN2)Br)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC(=CN2)Br)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H21BrN4O5S/c1-2-12-3-4-13(9-16(12)29(26,27)23-5-7-28-8-6-23)17(24)21-22-18(25)15-10-14(19)11-20-15/h3-4,9-11,20H,2,5-8H2,1H3,(H,21,24)(H,22,25)