N-(3,4-dihydro-2H-thiochromen-4-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: 1-(4-fluorophenyl)sulfonyl-N-thiochroman-4-yl-piperidine-3-carboxamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: 1-(4-fluorophenyl)sulfonyl-N-thiochroman-4-yl-nipecotamide Formula: C21H23FN2O3S2 MolecularWeight: 434.547323

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3CCSC4=CC=CC=C34

InChI

InChI=1S/C21H23FN2O3S2/c22-16-7-9-17(10-8-16)29(26,27)24-12-3-4-15(14-24)21(25)23-19-11-13-28-20-6-2-1-5-18(19)20/h1-2,5-10,15,19H,3-4,11-14H2,(H,23,25)