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

Systemtic Name: 3-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-1-yl]-3-[1-(p-tolylsulfonyl)indol-3-yl]propan-1-one CAS Name: 3-[1-(4-methylphenyl)sulfonyl-3-indolyl]-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[(E)-cinnamyl]piperazino]-3-(1-tosylindol-3-yl)propan-1-one Formula: C31H33N3O3S MolecularWeight: 527.67702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33N3O3S/c1-25-13-16-28(17-14-25)38(36,37)34-24-27(29-11-5-6-12-30(29)34)15-18-31(35)33-22-20-32(21-23-33)19-7-10-26-8-3-2-4-9-26/h2-14,16-17,24H,15,18-23H2,1H3/b10-7+