5-(4-methylphenyl)sulfonyl-1,3,4,6-tetrahydro-2,5-benzothiazocine

Systemtic Name: 5-(4-methylphenyl)sulfonyl-1,3,4,6-tetrahydro-2,5-benzothiazocine Openeye Name: 5-(p-tolylsulfonyl)-1,3,4,6-tetrahydro-2,5-benzothiazocine CAS Name: 5-(4-methylphenyl)sulfonyl-1,3,4,6-tetrahydro-2,5-benzothiazocine IUPAC Name: 5-(4-methylphenyl)sulfonyl-1,3,4,6-tetrahydro-2,5-benzothiazocine Traditional Name: 5-tosyl-1,3,4,6-tetrahydro-2,5-benzothiazocine Formula: C17H19NO2S2 MolecularWeight: 333.46826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCSCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCSCC3=CC=CC=C3C2

InChI

InChI=1S/C17H19NO2S2/c1-14-6-8-17(9-7-14)22(19,20)18-10-11-21-13-16-5-3-2-4-15(16)12-18/h2-9H,10-13H2,1H3