N-(3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: 1-(3-pyridylsulfonyl)-N-thiochroman-4-yl-piperidine-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: 1-(3-pyridylsulfonyl)-N-thiochroman-4-yl-isonipecotamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2CCSC3=CC=CC=C23)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2CCSC3=CC=CC=C23)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H23N3O3S2/c24-20(22-18-9-13-27-19-6-2-1-5-17(18)19)15-7-11-23(12-8-15)28(25,26)16-4-3-10-21-14-16/h1-6,10,14-15,18H,7-9,11-13H2,(H,22,24)