ethyl (E)-2-cyano-3-[(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-ethoxy-5-(1-piperidylsulfonyl)anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-ethoxy-5-(1-piperidinylsulfonyl)anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2-ethoxy-5-piperidinosulfonyl-anilino)acrylic acid ethyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC=C(C#N)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)N/C=C(\C#N)/C(=O)OCC

InChI

InChI=1S/C19H25N3O5S/c1-3-26-18-9-8-16(28(24,25)22-10-6-5-7-11-22)12-17(18)21-14-15(13-20)19(23)27-4-2/h8-9,12,14,21H,3-7,10-11H2,1-2H3/b15-14+