N'-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)carbonyl-1-(phenylsulfonyl)piperidine-3-carbohydrazide

Systemtic Name: N'-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)carbonyl-1-(phenylsulfonyl)piperidine-3-carbohydrazide Openeye Name: 1-(benzenesulfonyl)-N'-(2,5-dimethyl-1-phenyl-pyrrole-3-carbonyl)piperidine-3-carbohydrazide CAS Name: 1-(benzenesulfonyl)-N'-[(2,5-dimethyl-1-phenyl-3-pyrrolyl)-oxomethyl]-3-piperidinecarbohydrazide IUPAC Name: 1-(benzenesulfonyl)-N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)piperidine-3-carbohydrazide Traditional Name: 1-besyl-N'-(2,5-dimethyl-1-phenyl-pyrrole-3-carbonyl)nipecotohydrazide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NNC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NNC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O4S/c1-18-16-23(19(2)29(18)21-11-5-3-6-12-21)25(31)27-26-24(30)20-10-9-15-28(17-20)34(32,33)22-13-7-4-8-14-22/h3-8,11-14,16,20H,9-10,15,17H2,1-2H3,(H,26,30)(H,27,31)