1-(4-bromophenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide

Systemtic Name: 1-(4-bromophenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide Openeye Name: 1-(4-bromophenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide CAS Name: 1-(4-bromophenyl)sulfonyl-N-(1,3,5-trimethyl-4-pyrazolyl)-3-piperidinecarboxamide IUPAC Name: 1-(4-bromophenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide Traditional Name: 1-brosyl-N-(1,3,5-trimethylpyrazol-4-yl)nipecotamide Formula: C18H23BrN4O3S MolecularWeight: 455.36922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H23BrN4O3S/c1-12-17(13(2)22(3)21-12)20-18(24)14-5-4-10-23(11-14)27(25,26)16-8-6-15(19)7-9-16/h6-9,14H,4-5,10-11H2,1-3H3,(H,20,24)