(3S)-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(4S)-6-fluorothiochroman-4-yl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(4S)-6-fluorothiochroman-4-yl]-1-(2-thienylsulfonyl)nipecotamide Formula: C19H21FN2O3S3 MolecularWeight: 440.575043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3CCSC4=C3C=C(C=C4)F

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N[C@H]3CCSC4=C3C=C(C=C4)F

InChI

InChI=1S/C19H21FN2O3S3/c20-14-5-6-17-15(11-14)16(7-10-26-17)21-19(23)13-3-1-8-22(12-13)28(24,25)18-4-2-9-27-18/h2,4-6,9,11,13,16H,1,3,7-8,10,12H2,(H,21,23)/t13-,16-/m0/s1