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

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-chlorothiochroman-4-yl)-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-(6-chlorothiochroman-4-yl)-1-esyl-isonipecotamide Formula: C17H23ClN2O3S2 MolecularWeight: 402.95912

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2CCSC3=C2C=C(C=C3)Cl

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2CCSC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C17H23ClN2O3S2/c1-2-25(22,23)20-8-5-12(6-9-20)17(21)19-15-7-10-24-16-4-3-13(18)11-14(15)16/h3-4,11-12,15H,2,5-10H2,1H3,(H,19,21)