2-(azocan-1-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(azocan-1-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(azocan-1-yl)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1-azocanyl)-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(azocan-1-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(azocan-1-yl)-1-[4-[(E)-styryl]sulfonylpiperazino]ethanone Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)CC(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CCC1)CC(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H31N3O3S/c25-21(19-22-12-7-2-1-3-8-13-22)23-14-16-24(17-15-23)28(26,27)18-11-20-9-5-4-6-10-20/h4-6,9-11,18H,1-3,7-8,12-17,19H2/b18-11+