2-[(E)-3-oxidanylidene-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-1-enyl]benzenecarbonitrile

Systemtic Name: 2-[(E)-3-oxidanylidene-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-1-enyl]benzenecarbonitrile Openeye Name: 2-[(E)-3-oxo-3-[4-(2-thienylsulfonyl)piperazin-1-yl]prop-1-enyl]benzonitrile CAS Name: 2-[(E)-3-oxo-3-(4-thiophen-2-ylsulfonyl-1-piperazinyl)prop-1-enyl]benzonitrile IUPAC Name: 2-[(E)-3-oxo-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-1-enyl]benzonitrile Traditional Name: 2-[(E)-3-keto-3-[4-(2-thienylsulfonyl)piperazino]prop-1-enyl]benzonitrile Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H17N3O3S2/c19-14-16-5-2-1-4-15(16)7-8-17(22)20-9-11-21(12-10-20)26(23,24)18-6-3-13-25-18/h1-8,13H,9-12H2/b8-7+