1-(phenylsulfonyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(phenylsulfonyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[3-(2-thioxo-1H-imidazol-3-yl)phenyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[3-(2-thioxo-4-imidazolin-1-yl)phenyl]isonipecotamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC(=C2)N3C=CNC3=S)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC(=C2)N3C=CNC3=S)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S2/c26-20(23-17-5-4-6-18(15-17)25-14-11-22-21(25)29)16-9-12-24(13-10-16)30(27,28)19-7-2-1-3-8-19/h1-8,11,14-16H,9-10,12-13H2,(H,22,29)(H,23,26)