N-(3,4-dihydro-2H-thiochromen-4-yl)-1-(phenylsulfonyl)cyclopentane-1-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-1-(phenylsulfonyl)cyclopentane-1-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-thiochroman-4-yl-cyclopentanecarboxamide CAS Name: 1-(benzenesulfonyl)-N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-cyclopentanecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide Traditional Name: 1-besyl-N-thiochroman-4-yl-cyclopentanecarboxamide Formula: C21H23NO3S2 MolecularWeight: 401.54222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)NC2CCSC3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)(C(=O)NC2CCSC3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23NO3S2/c23-20(22-18-12-15-26-19-11-5-4-10-17(18)19)21(13-6-7-14-21)27(24,25)16-8-2-1-3-9-16/h1-5,8-11,18H,6-7,12-15H2,(H,22,23)