1-(4-methylphenyl)sulfonyl-3-oxidanyl-4,5-dihydro-2H-1-benzazepine-3-carbonitrile

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-oxidanyl-4,5-dihydro-2H-1-benzazepine-3-carbonitrile Openeye Name: 3-hydroxy-1-(p-tolylsulfonyl)-4,5-dihydro-2H-1-benzazepine-3-carbonitrile CAS Name: 3-hydroxy-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepine-3-carbonitrile IUPAC Name: 3-hydroxy-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepine-3-carbonitrile Traditional Name: 3-hydroxy-1-tosyl-4,5-dihydro-2H-1-benzazepine-3-carbonitrile Formula: C18H18N2O3S MolecularWeight: 342.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CCC3=CC=CC=C32)(C#N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CCC3=CC=CC=C32)(C#N)O

InChI

InChI=1S/C18H18N2O3S/c1-14-6-8-16(9-7-14)24(22,23)20-13-18(21,12-19)11-10-15-4-2-3-5-17(15)20/h2-9,21H,10-11,13H2,1H3