N-benzo[e][1,3]benzothiazol-2-yl-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(3-pyridylsulfonyl)isonipecotamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43)S(=O)(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43)S(=O)(=O)C5=CN=CC=C5

InChI

InChI=1S/C22H20N4O3S2/c27-21(16-9-12-26(13-10-16)31(28,29)17-5-3-11-23-14-17)25-22-24-20-18-6-2-1-4-15(18)7-8-19(20)30-22/h1-8,11,14,16H,9-10,12-13H2,(H,24,25,27)