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

Systemtic Name: 4-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-1-yl]-4-[1-(p-tolylsulfonyl)indol-3-yl]butan-1-one CAS Name: 4-[1-(4-methylphenyl)sulfonyl-3-indolyl]-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[(E)-cinnamyl]piperazino]-4-(1-tosylindol-3-yl)butan-1-one Formula: C32H35N3O3S MolecularWeight: 541.7036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCCC(=O)N4CCN(CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCCC(=O)N4CCN(CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C32H35N3O3S/c1-26-16-18-29(19-17-26)39(37,38)35-25-28(30-13-5-6-14-31(30)35)12-7-15-32(36)34-23-21-33(22-24-34)20-8-11-27-9-3-2-4-10-27/h2-6,8-11,13-14,16-19,25H,7,12,15,20-24H2,1H3/b11-8+