N-(4-aminocarbonylphenyl)-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(4-aminocarbonylphenyl)-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(4-carbamoylphenyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(4-carbamoylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(4-carbamoylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(4-carbamoylphenyl)isonipecotamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C(=O)N)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C(=O)N)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H22BrN3O4S/c21-17-3-1-2-14(12-17)13-29(27,28)24-10-8-16(9-11-24)20(26)23-18-6-4-15(5-7-18)19(22)25/h1-7,12,16H,8-11,13H2,(H2,22,25)(H,23,26)