1-(4-methylphenyl)sulfonyl-2,3,4,7-tetrahydroazepine

Systemtic Name: 1-(4-methylphenyl)sulfonyl-2,3,4,7-tetrahydroazepine Openeye Name: 1-(p-tolylsulfonyl)-2,3,4,7-tetrahydroazepine CAS Name: 1-(4-methylphenyl)sulfonyl-2,3,4,7-tetrahydroazepine IUPAC Name: 1-(4-methylphenyl)sulfonyl-2,3,4,7-tetrahydroazepine Traditional Name: 1-tosyl-2,3,4,7-tetrahydroazepine Formula: C13H17NO2S MolecularWeight: 251.34458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC=CC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC=CC2

InChI

InChI=1S/C13H17NO2S/c1-12-6-8-13(9-7-12)17(15,16)14-10-4-2-3-5-11-14/h2,4,6-9H,3,5,10-11H2,1H3