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

Systemtic Name: 2-[4-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]piperazino]sulfonylbenzonitrile Formula: C21H20BrN3O4S MolecularWeight: 490.3702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H20BrN3O4S/c1-29-19-8-7-18(22)14-16(19)6-9-21(26)24-10-12-25(13-11-24)30(27,28)20-5-3-2-4-17(20)15-23/h2-9,14H,10-13H2,1H3/b9-6+