1-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-N-(4-bromanyl-3-methyl-phenyl)piperidine-3-carboxamide

Systemtic Name: 1-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-N-(4-bromanyl-3-methyl-phenyl)piperidine-3-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methylsulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-(2,6-dichlorobenzyl)sulfonyl-nipecotamide Formula: C20H21BrCl2N2O3S MolecularWeight: 520.26734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CC3=C(C=CC=C3Cl)Cl)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CC3=C(C=CC=C3Cl)Cl)Br

InChI

InChI=1S/C20H21BrCl2N2O3S/c1-13-10-15(7-8-17(13)21)24-20(26)14-4-3-9-25(11-14)29(27,28)12-16-18(22)5-2-6-19(16)23/h2,5-8,10,14H,3-4,9,11-12H2,1H3,(H,24,26)