N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-(4-bromophenyl)carbonyl-N-methyl-piperidine-4-carboxamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-(4-bromophenyl)carbonyl-N-methyl-piperidine-4-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-methyl-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpiperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-[(3S)-1,1-diketothiolan-3-yl]-N-methyl-isonipecotamide Formula: C18H23BrN2O4S MolecularWeight: 443.35522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H23BrN2O4S/c1-20(16-8-11-26(24,25)12-16)17(22)14-6-9-21(10-7-14)18(23)13-2-4-15(19)5-3-13/h2-5,14,16H,6-12H2,1H3/t16-/m0/s1