2,5-dimethyl-N'-(4-methylsulfonylphenyl)carbonyl-1-phenyl-pyrrole-3-carbohydrazide

Systemtic Name: 2,5-dimethyl-N'-(4-methylsulfonylphenyl)carbonyl-1-phenyl-pyrrole-3-carbohydrazide Openeye Name: 2,5-dimethyl-N'-(4-methylsulfonylbenzoyl)-1-phenyl-pyrrole-3-carbohydrazide CAS Name: 2,5-dimethyl-N'-[(4-methylsulfonylphenyl)-oxomethyl]-1-phenyl-3-pyrrolecarbohydrazide IUPAC Name: 2,5-dimethyl-N'-(4-methylsulfonylbenzoyl)-1-phenylpyrrole-3-carbohydrazide Traditional Name: N'-(4-mesylbenzoyl)-2,5-dimethyl-1-phenyl-pyrrole-3-carbohydrazide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H21N3O4S/c1-14-13-19(15(2)24(14)17-7-5-4-6-8-17)21(26)23-22-20(25)16-9-11-18(12-10-16)29(3,27)28/h4-13H,1-3H3,(H,22,25)(H,23,26)