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

Systemtic Name: ethyl (E)-2-cyano-3-[(2-oxidanyl-5-piperidin-1-ylsulfonyl-phenyl)amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-hydroxy-5-(1-piperidylsulfonyl)anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-hydroxy-5-(1-piperidinylsulfonyl)anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(2-hydroxy-5-piperidin-1-ylsulfonylanilino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2-hydroxy-5-piperidinosulfonyl-anilino)acrylic acid ethyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S/c1-2-25-17(22)13(11-18)12-19-15-10-14(6-7-16(15)21)26(23,24)20-8-4-3-5-9-20/h6-7,10,12,19,21H,2-5,8-9H2,1H3/b13-12+