3-(4-methylphenyl)sulfonyl-4-[[(phenylmethyl)amino]methyl]pent-4-enenitrile

Systemtic Name: 3-(4-methylphenyl)sulfonyl-4-[[(phenylmethyl)amino]methyl]pent-4-enenitrile Openeye Name: 4-[(benzylamino)methyl]-3-(p-tolylsulfonyl)pent-4-enenitrile CAS Name: 3-(4-methylphenyl)sulfonyl-4-[[(phenylmethyl)amino]methyl]-4-pentenenitrile IUPAC Name: 4-[(benzylamino)methyl]-3-(4-methylphenyl)sulfonylpent-4-enenitrile Traditional Name: 4-[(benzylamino)methyl]-3-tosyl-pent-4-enenitrile Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC#N)C(=C)CNCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC#N)C(=C)CNCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O2S/c1-16-8-10-19(11-9-16)25(23,24)20(12-13-21)17(2)14-22-15-18-6-4-3-5-7-18/h3-11,20,22H,2,12,14-15H2,1H3