(3S)-N-[4-chloranyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[4-chloranyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[4-chloro-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[4-chloro-1-(4-chlorobenzyl)pyrazol-3-yl]-1-mesyl-nipecotamide Formula: C17H20Cl2N4O3S MolecularWeight: 431.3367

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=NN(C=C2Cl)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)C(=O)NC2=NN(C=C2Cl)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20Cl2N4O3S/c1-27(25,26)23-8-2-3-13(10-23)17(24)20-16-15(19)11-22(21-16)9-12-4-6-14(18)7-5-12/h4-7,11,13H,2-3,8-10H2,1H3,(H,20,21,24)/t13-/m0/s1