(E)-N-[4-[[2-(4-methylpiperazin-1-yl)-2-phenyl-ethanoyl]amino]-3-(phenylcarbonyl)phenyl]-3-[5-(4-methylsulfonylphenyl)furan-2-yl]prop-2-enamide

Systemtic Name: (E)-N-[4-[[2-(4-methylpiperazin-1-yl)-2-phenyl-ethanoyl]amino]-3-(phenylcarbonyl)phenyl]-3-[5-(4-methylsulfonylphenyl)furan-2-yl]prop-2-enamide Openeye Name: (E)-N-[3-benzoyl-4-[[2-(4-methylpiperazin-1-yl)-2-phenyl-acetyl]amino]phenyl]-3-[5-(4-methylsulfonylphenyl)-2-furyl]prop-2-enamide CAS Name: (E)-N-[3-benzoyl-4-[[2-(4-methyl-1-piperazinyl)-1-oxo-2-phenylethyl]amino]phenyl]-3-[5-(4-methylsulfonylphenyl)-2-furanyl]-2-propenamide IUPAC Name: (E)-N-[3-benzoyl-4-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]phenyl]-3-[5-(4-methylsulfonylphenyl)furan-2-yl]prop-2-enamide Traditional Name: (E)-N-[3-benzoyl-4-[[2-(4-methylpiperazino)-2-phenyl-acetyl]amino]phenyl]-3-[5-(4-mesylphenyl)-2-furyl]acrylamide Formula: C40H38N4O6S MolecularWeight: 702.81792

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)NC(=O)C=CC4=CC=C(O4)C5=CC=C(C=C5)S(=O)(=O)C)C(=O)C6=CC=CC=C6

Isomeric SMILES

CN1CCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)NC(=O)/C=C/C4=CC=C(O4)C5=CC=C(C=C5)S(=O)(=O)C)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C40H38N4O6S/c1-43-23-25-44(26-24-43)38(29-9-5-3-6-10-29)40(47)42-35-20-15-31(27-34(35)39(46)30-11-7-4-8-12-30)41-37(45)22-17-32-16-21-36(50-32)28-13-18-33(19-14-28)51(2,48)49/h3-22,27,38H,23-26H2,1-2H3,(H,41,45)(H,42,47)/b22-17+