[1-(4-methylphenyl)sulfonyl-2,3,4,7-tetrahydroazepin-6-yl]methyl ethanoate

Systemtic Name: [1-(4-methylphenyl)sulfonyl-2,3,4,7-tetrahydroazepin-6-yl]methyl ethanoate Openeye Name: [1-(p-tolylsulfonyl)-2,3,4,7-tetrahydroazepin-6-yl]methyl acetate CAS Name: acetic acid [1-(4-methylphenyl)sulfonyl-2,3,4,7-tetrahydroazepin-6-yl]methyl ester IUPAC Name: [1-(4-methylphenyl)sulfonyl-2,3,4,7-tetrahydroazepin-6-yl]methyl acetate Traditional Name: acetic acid (1-tosyl-2,3,4,7-tetrahydroazepin-6-yl)methyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC=C(C2)COC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC=C(C2)COC(=O)C

InChI

InChI=1S/C16H21NO4S/c1-13-6-8-16(9-7-13)22(19,20)17-10-4-3-5-15(11-17)12-21-14(2)18/h5-9H,3-4,10-12H2,1-2H3