(6-bromanylnaphthalen-2-yl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (6-bromanylnaphthalen-2-yl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (6-bromo-2-naphthyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid (6-bromo-2-naphthalenyl) ester IUPAC Name: (6-bromonaphthalen-2-yl) 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid (6-bromo-2-naphthyl) ester Formula: C22H20BrNO5S MolecularWeight: 490.3669

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)Br)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)Br)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H20BrNO5S/c1-28-20-9-6-17(14-21(20)30(26,27)24-10-2-3-11-24)22(25)29-19-8-5-15-12-18(23)7-4-16(15)13-19/h4-9,12-14H,2-3,10-11H2,1H3