1-(4-bromophenyl)sulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-(4-bromophenyl)sulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide Openeye Name: 1-(4-bromophenyl)sulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide CAS Name: 1-(4-bromophenyl)sulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-bromophenyl)sulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide Traditional Name: 1-brosyl-N-[3-(1H-pyrazol-5-yl)phenyl]nipecotamide Formula: C21H21BrN4O3S MolecularWeight: 489.38544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NC3=CC=CC(=C3)C4=CC=NN4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NC3=CC=CC(=C3)C4=CC=NN4

InChI

InChI=1S/C21H21BrN4O3S/c22-17-6-8-19(9-7-17)30(28,29)26-12-2-4-16(14-26)21(27)24-18-5-1-3-15(13-18)20-10-11-23-25-20/h1,3,5-11,13,16H,2,4,12,14H2,(H,23,25)(H,24,27)