N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(4S)-6-chlorothiochroman-4-yl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(4S)-6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[(4S)-6-chlorothiochroman-4-yl]isonipecotamide Formula: C21H23ClN2O3S2 MolecularWeight: 451.00192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2CCSC3=C2C=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O3S2/c22-16-6-7-20-18(14-16)19(10-13-28-20)23-21(25)15-8-11-24(12-9-15)29(26,27)17-4-2-1-3-5-17/h1-7,14-15,19H,8-13H2,(H,23,25)/t19-/m0/s1