1-[(3-bromophenyl)methylsulfonyl]-N-(3-chloranyl-4-methyl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3-chloranyl-4-methyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3-chloro-4-methyl-phenyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3-chloro-4-methylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(3-chloro-4-methyl-phenyl)isonipecotamide Formula: C20H22BrClN2O3S MolecularWeight: 485.82228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrClN2O3S/c1-14-5-6-18(12-19(14)22)23-20(25)16-7-9-24(10-8-16)28(26,27)13-15-3-2-4-17(21)11-15/h2-6,11-12,16H,7-10,13H2,1H3,(H,23,25)