8-(4-methylphenyl)sulfonyl-4-(phenylmethyl)-4,8-diazabicyclo[3.2.1]oct-2-ene-2-carbonitrile

Systemtic Name: 8-(4-methylphenyl)sulfonyl-4-(phenylmethyl)-4,8-diazabicyclo[3.2.1]oct-2-ene-2-carbonitrile Openeye Name: 4-benzyl-8-(p-tolylsulfonyl)-4,8-diazabicyclo[3.2.1]oct-2-ene-2-carbonitrile CAS Name: 8-(4-methylphenyl)sulfonyl-4-(phenylmethyl)-4,8-diazabicyclo[3.2.1]oct-2-ene-2-carbonitrile IUPAC Name: 4-benzyl-8-(4-methylphenyl)sulfonyl-4,8-diazabicyclo[3.2.1]oct-2-ene-2-carbonitrile Traditional Name: 4-benzyl-8-tosyl-4,8-diazabicyclo[3.2.1]oct-2-ene-2-carbonitrile Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3CCC2N(C=C3C#N)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3CCC2N(C=C3C#N)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c1-16-7-9-19(10-8-16)27(25,26)24-20-11-12-21(24)23(15-18(20)13-22)14-17-5-3-2-4-6-17/h2-10,15,20-21H,11-12,14H2,1H3