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

Systemtic Name: (E)-3-(4-bromophenyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(4-bromophenyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)prop-2-enamide CAS Name: (E)-3-(4-bromophenyl)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(4-bromophenyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(4-bromophenyl)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)acrylamide Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C=CC2=CC=C(C=C2)Br)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)Br)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H23BrN2O4S/c1-2-28-19-11-10-18(15-20(19)29(26,27)24-13-3-4-14-24)23-21(25)12-7-16-5-8-17(22)9-6-16/h5-12,15H,2-4,13-14H2,1H3,(H,23,25)/b12-7+