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

Systemtic Name: ethyl (E)-3-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-cyano-prop-2-enoate CAS Name: (E)-3-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(2-chloro-5-pyrrolidinosulfonyl-anilino)-2-cyano-acrylic acid ethyl ester Formula: C16H18ClN3O4S MolecularWeight: 383.84982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl)/C#N

InChI

InChI=1S/C16H18ClN3O4S/c1-2-24-16(21)12(10-18)11-19-15-9-13(5-6-14(15)17)25(22,23)20-7-3-4-8-20/h5-6,9,11,19H,2-4,7-8H2,1H3/b12-11+