3-(4-methylphenyl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-propanamide

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-propanamide Openeye Name: 3-(p-tolylsulfonyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-propanamide CAS Name: 3-(4-methylphenyl)sulfonyl-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)propanamide IUPAC Name: 3-(4-methylphenyl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide Traditional Name: N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-3-tosyl-propionamide Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4

InChI

InChI=1S/C21H23NO5S/c1-15-4-7-17(8-5-15)28(24,25)13-10-20(23)22-16-6-9-18-19(14-16)27-21(26-18)11-2-3-12-21/h4-9,14H,2-3,10-13H2,1H3,(H,22,23)