N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(4S)-thiochroman-4-yl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[(4S)-thiochroman-4-yl]isonipecotamide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CSC2=CC=CC=C2[C@H]1NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H24N2O3S2/c24-21(22-19-12-15-27-20-9-5-4-8-18(19)20)16-10-13-23(14-11-16)28(25,26)17-6-2-1-3-7-17/h1-9,16,19H,10-15H2,(H,22,24)/t19-/m0/s1