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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC2CCSC3=C2C=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)NC2CCSC3=C2C=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4

InChI

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