N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-(3-phenylpropylsulfonyl)ethanamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-(3-phenylpropylsulfonyl)ethanamide Openeye Name: N-(6-chlorothiochroman-4-yl)-2-(3-phenylpropylsulfonyl)acetamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-(3-phenylpropylsulfonyl)acetamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(3-phenylpropylsulfonyl)acetamide Traditional Name: N-(6-chlorothiochroman-4-yl)-2-(3-phenylpropylsulfonyl)acetamide Formula: C20H22ClNO3S2 MolecularWeight: 423.97658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)CS(=O)(=O)CCCC3=CC=CC=C3)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)CS(=O)(=O)CCCC3=CC=CC=C3)C=C(C=C2)Cl

InChI

InChI=1S/C20H22ClNO3S2/c21-16-8-9-19-17(13-16)18(10-11-26-19)22-20(23)14-27(24,25)12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,18H,4,7,10-12,14H2,(H,22,23)