3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole

Systemtic Name: 3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[4-[(E)-styryl]sulfonylpiperazin-1-yl]methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[4-[(E)-styryl]sulfonylpiperazino]methyl]-5-(2-thienyl)isoxazole Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NOC(=C2)C3=CC=CS3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=NOC(=C2)C3=CC=CS3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S2/c24-28(25,14-8-17-5-2-1-3-6-17)23-11-9-22(10-12-23)16-18-15-19(26-21-18)20-7-4-13-27-20/h1-8,13-15H,9-12,16H2/b14-8+