2-(1,2-benzoxazol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1,2-benzoxazol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1,2-benzoxazol-3-yl)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1,2-benzoxazol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1,2-benzoxazol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-indoxazen-3-yl-1-[4-[(E)-styryl]sulfonylpiperazino]ethanone Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=NOC3=CC=CC=C32)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CC2=NOC3=CC=CC=C32)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S/c25-21(16-19-18-8-4-5-9-20(18)28-22-19)23-11-13-24(14-12-23)29(26,27)15-10-17-6-2-1-3-7-17/h1-10,15H,11-14,16H2/b15-10+