3-bromanyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)benzamide

Systemtic Name: 3-bromanyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)benzamide Openeye Name: 3-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)benzamide CAS Name: 3-bromo-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 3-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 3-bromo-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)benzamide Formula: C19H21BrN2O4S MolecularWeight: 453.35004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O4S/c1-2-26-17-9-8-16(21-19(23)14-6-5-7-15(20)12-14)13-18(17)27(24,25)22-10-3-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23)