3-(3-bromanyl-4-methoxy-phenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 3-(3-bromo-4-methoxyphenyl)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-N-(3-pyrrolidinosulfonylphenyl)propionamide Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)Br

InChI

InChI=1S/C20H23BrN2O4S/c1-27-19-9-7-15(13-18(19)21)8-10-20(24)22-16-5-4-6-17(14-16)28(25,26)23-11-2-3-12-23/h4-7,9,13-14H,2-3,8,10-12H2,1H3,(H,22,24)