N-(4-bromanyl-3-methyl-phenyl)-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl)Br

InChI

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