1-[(3-bromophenyl)methylsulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2,3-dimethylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(2,3-dimethylphenyl)isonipecotamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O3S/c1-15-5-3-8-20(16(15)2)23-21(25)18-9-11-24(12-10-18)28(26,27)14-17-6-4-7-19(22)13-17/h3-8,13,18H,9-12,14H2,1-2H3,(H,23,25)