(E)-2-(4-methylphenyl)sulfonyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-methylphenyl)sulfonyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile Openeye Name: (E)-3-[4-(1-piperidyl)phenyl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-2-(4-methylphenyl)sulfonyl-3-[4-(1-piperidinyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(4-methylphenyl)sulfonyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile Traditional Name: (E)-3-(4-piperidinophenyl)-2-tosyl-acrylonitrile Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)N3CCCCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(C=C2)N3CCCCC3)/C#N

InChI

InChI=1S/C21H22N2O2S/c1-17-5-11-20(12-6-17)26(24,25)21(16-22)15-18-7-9-19(10-8-18)23-13-3-2-4-14-23/h5-12,15H,2-4,13-14H2,1H3/b21-15+