1-[(3-bromophenyl)methylsulfonyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)isonipecotamide Formula: C24H27BrN4O4S MolecularWeight: 547.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H27BrN4O4S/c1-17-22(24(31)29(27(17)2)21-9-4-3-5-10-21)26-23(30)19-11-13-28(14-12-19)34(32,33)16-18-7-6-8-20(25)15-18/h3-10,15,19H,11-14,16H2,1-2H3,(H,26,30)