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

Systemtic Name: ethyl (E)-3-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(2-chloro-5-piperidinosulfonyl-anilino)-2-cyano-acrylic acid ethyl ester Formula: C17H20ClN3O4S MolecularWeight: 397.8764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O4S/c1-2-25-17(22)13(11-19)12-20-16-10-14(6-7-15(16)18)26(23,24)21-8-4-3-5-9-21/h6-7,10,12,20H,2-5,8-9H2,1H3/b13-12+