N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C21H21N3O3S3 MolecularWeight: 459.60474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CCN(C(C1)C(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C21H21N3O3S3/c25-20(16-8-3-4-12-24(16)30(26,27)18-9-5-13-28-18)23-21-22-19-15-7-2-1-6-14(15)10-11-17(19)29-21/h1-2,5-7,9,13,16H,3-4,8,10-12H2,(H,22,23,25)