2-[4-[(E)-3-(2-methoxy-5-methyl-phenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(E)-3-(2-methoxy-5-methyl-phenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(E)-3-(2-methoxy-5-methyl-phenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(E)-3-(2-methoxy-5-methylphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(E)-3-(2-methoxy-5-methyl-phenyl)acryloyl]piperazino]sulfonylbenzonitrile Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H23N3O4S/c1-17-7-9-20(29-2)18(15-17)8-10-22(26)24-11-13-25(14-12-24)30(27,28)21-6-4-3-5-19(21)16-23/h3-10,15H,11-14H2,1-2H3/b10-8+