2-[3-(4-methylphenyl)sulfonylindol-1-yl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone

Systemtic Name: 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-1-yl]-2-[3-(p-tolylsulfonyl)indol-1-yl]ethanone CAS Name: 2-[3-(4-methylphenyl)sulfonyl-1-indolyl]-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethanone IUPAC Name: 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[(E)-cinnamyl]piperazino]-2-(3-tosylindol-1-yl)ethanone Formula: C30H31N3O3S MolecularWeight: 513.65044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCN(CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCN(CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C30H31N3O3S/c1-24-13-15-26(16-14-24)37(35,36)29-22-33(28-12-6-5-11-27(28)29)23-30(34)32-20-18-31(19-21-32)17-7-10-25-8-3-2-4-9-25/h2-16,22H,17-21,23H2,1H3/b10-7+