2-[4-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(E)-3-[4-(1-imidazolyl)phenyl]-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(E)-3-(4-imidazol-1-ylphenyl)acryloyl]piperazino]sulfonylbenzonitrile Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC=C(C=C2)N3C=CN=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CC=C(C=C2)N3C=CN=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H21N5O3S/c24-17-20-3-1-2-4-22(20)32(30,31)28-15-13-26(14-16-28)23(29)10-7-19-5-8-21(9-6-19)27-12-11-25-18-27/h1-12,18H,13-16H2/b10-7+