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

Systemtic Name: (E)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-(2-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-(2-nitrophenyl)acrylamide Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6S/c1-2-30-19-11-10-17(15-20(19)31(28,29)23-13-5-6-14-23)22-21(25)12-9-16-7-3-4-8-18(16)24(26)27/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,22,25)/b12-9+