3-methylidene-4-(4-methylphenyl)sulfonyl-1-(phenylmethyl)azepane

Systemtic Name: 3-methylidene-4-(4-methylphenyl)sulfonyl-1-(phenylmethyl)azepane Openeye Name: 1-benzyl-3-methylene-4-(p-tolylsulfonyl)azepane CAS Name: 3-methylene-4-(4-methylphenyl)sulfonyl-1-(phenylmethyl)azepane IUPAC Name: 1-benzyl-3-methylidene-4-(4-methylphenyl)sulfonylazepane Traditional Name: 1-benzyl-3-methylene-4-tosyl-azepane Formula: C21H25NO2S MolecularWeight: 355.4937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2CCCN(CC2=C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2CCCN(CC2=C)CC3=CC=CC=C3

InChI

InChI=1S/C21H25NO2S/c1-17-10-12-20(13-11-17)25(23,24)21-9-6-14-22(15-18(21)2)16-19-7-4-3-5-8-19/h3-5,7-8,10-13,21H,2,6,9,14-16H2,1H3