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

Systemtic Name: ethyl (E)-2-cyano-3-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-methoxy-5-(1-piperidylsulfonyl)anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2-methoxy-5-piperidinosulfonyl-anilino)acrylic acid ethyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC)/C#N

InChI

InChI=1S/C18H23N3O5S/c1-3-26-18(22)14(12-19)13-20-16-11-15(7-8-17(16)25-2)27(23,24)21-9-5-4-6-10-21/h7-8,11,13,20H,3-6,9-10H2,1-2H3/b14-13+