[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [2-keto-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C25H28N4O5S/c1-28(2)22-10-6-19(7-11-22)16-20(17-26)25(31)34-18-24(30)27-21-8-12-23(13-9-21)35(32,33)29-14-4-3-5-15-29/h6-13,16H,3-5,14-15,18H2,1-2H3,(H,27,30)/b20-16+