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

Systemtic Name: 4-bromanyl-1-methyl-N'-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonyl-pyrrole-2-carbohydrazide Openeye Name: 4-bromo-1-methyl-N'-[4-methyl-3-(1-piperidylsulfonyl)benzoyl]pyrrole-2-carbohydrazide CAS Name: 4-bromo-1-methyl-N'-[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-2-pyrrolecarbohydrazide IUPAC Name: 4-bromo-1-methyl-N'-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)pyrrole-2-carbohydrazide Traditional Name: 4-bromo-1-methyl-N'-(4-methyl-3-piperidinosulfonyl-benzoyl)pyrrole-2-carbohydrazide Formula: C19H23BrN4O4S MolecularWeight: 483.37932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC(=CN2C)Br)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC(=CN2C)Br)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H23BrN4O4S/c1-13-6-7-14(10-17(13)29(27,28)24-8-4-3-5-9-24)18(25)21-22-19(26)16-11-15(20)12-23(16)2/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,21,25)(H,22,26)