(E)-3-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-tosyl-acrylonitrile Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)N3CCCCCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(C=C2)N3CCCCCC3)/C#N

InChI

InChI=1S/C22H24N2O2S/c1-18-6-12-21(13-7-18)27(25,26)22(17-23)16-19-8-10-20(11-9-19)24-14-4-2-3-5-15-24/h6-13,16H,2-5,14-15H2,1H3/b22-16+