2-[4-(4-prop-2-enoxyphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(4-prop-2-enoxyphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-allyloxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-(4-prop-2-enoxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-prop-2-enoxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-allyloxybenzoyl)piperazino]sulfonylbenzonitrile Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H21N3O4S/c1-2-15-28-19-9-7-17(8-10-19)21(25)23-11-13-24(14-12-23)29(26,27)20-6-4-3-5-18(20)16-22/h2-10H,1,11-15H2