2-[1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanenitrile

Systemtic Name: 2-[1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanenitrile Openeye Name: 2-[1-(p-tolylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetonitrile CAS Name: 2-[1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetonitrile IUPAC Name: 2-[1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetonitrile Traditional Name: 2-(1-tosyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)acetonitrile Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C3=CC=CC=C32)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C3=CC=CC=C32)CC#N

InChI

InChI=1S/C19H20N2O2S/c1-15-8-10-17(11-9-15)24(22,23)21-14-4-5-16(12-13-20)18-6-2-3-7-19(18)21/h2-3,6-11,16H,4-5,12,14H2,1H3