(E)-3-(2,3-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]prop-2-enamide

Systemtic Name: (E)-3-(2,3-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]prop-2-enamide Openeye Name: (E)-3-(2,3-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-3-(2,3-dimethoxyphenyl)-N-[2-(4-ethyl-1-piperazinyl)-5-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]prop-2-enamide Traditional Name: (E)-3-(2,3-dimethoxyphenyl)-N-[2-(4-ethylpiperazino)-5-piperidinosulfonyl-phenyl]acrylamide Formula: C28H38N4O5S MolecularWeight: 542.69012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C=CC4=C(C(=CC=C4)OC)OC

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)/C=C/C4=C(C(=CC=C4)OC)OC

InChI

InChI=1S/C28H38N4O5S/c1-4-30-17-19-31(20-18-30)25-13-12-23(38(34,35)32-15-6-5-7-16-32)21-24(25)29-27(33)14-11-22-9-8-10-26(36-2)28(22)37-3/h8-14,21H,4-7,15-20H2,1-3H3,(H,29,33)/b14-11+