N-[4-bromanyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-bromanyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-bromo-1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-bromo-1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]-1-mesyl-isonipecotamide Formula: C17H19BrClFN4O3S MolecularWeight: 493.778163

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=NN(C=C2Br)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=NN(C=C2Br)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C17H19BrClFN4O3S/c1-28(26,27)24-7-5-11(6-8-24)17(25)21-16-13(18)10-23(22-16)9-12-14(19)3-2-4-15(12)20/h2-4,10-11H,5-9H2,1H3,(H,21,22,25)