(E)-3-(4-chloranyl-3-nitro-phenyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)prop-2-enamide CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)acrylamide Formula: C21H22ClN3O6S MolecularWeight: 479.93388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H22ClN3O6S/c1-2-31-19-9-7-16(14-20(19)32(29,30)24-11-3-4-12-24)23-21(26)10-6-15-5-8-17(22)18(13-15)25(27)28/h5-10,13-14H,2-4,11-12H2,1H3,(H,23,26)/b10-6+