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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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