4-bromanyl-1-methyl-N'-(3-piperidin-1-ylsulfonylphenyl)carbonyl-pyrrole-2-carbohydrazide

Systemtic Name: 4-bromanyl-1-methyl-N'-(3-piperidin-1-ylsulfonylphenyl)carbonyl-pyrrole-2-carbohydrazide Openeye Name: 4-bromo-1-methyl-N'-[3-(1-piperidylsulfonyl)benzoyl]pyrrole-2-carbohydrazide CAS Name: 4-bromo-1-methyl-N'-[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]-2-pyrrolecarbohydrazide IUPAC Name: 4-bromo-1-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)pyrrole-2-carbohydrazide Traditional Name: 4-bromo-1-methyl-N'-(3-piperidinosulfonylbenzoyl)pyrrole-2-carbohydrazide Formula: C18H21BrN4O4S MolecularWeight: 469.35274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)Br

InChI

InChI=1S/C18H21BrN4O4S/c1-22-12-14(19)11-16(22)18(25)21-20-17(24)13-6-5-7-15(10-13)28(26,27)23-8-3-2-4-9-23/h5-7,10-12H,2-4,8-9H2,1H3,(H,20,24)(H,21,25)