N-(3,4-dihydro-2H-thiochromen-4-yl)-1-(3-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-1-(3-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(3-acetylphenyl)sulfonyl-N-thiochroman-4-yl-piperidine-4-carboxamide CAS Name: 1-(3-acetylphenyl)sulfonyl-N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-piperidinecarboxamide IUPAC Name: 1-(3-acetylphenyl)sulfonyl-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide Traditional Name: 1-(3-acetylphenyl)sulfonyl-N-thiochroman-4-yl-isonipecotamide Formula: C23H26N2O4S2 MolecularWeight: 458.59354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCSC4=CC=CC=C34

InChI

InChI=1S/C23H26N2O4S2/c1-16(26)18-5-4-6-19(15-18)31(28,29)25-12-9-17(10-13-25)23(27)24-21-11-14-30-22-8-3-2-7-20(21)22/h2-8,15,17,21H,9-14H2,1H3,(H,24,27)