methyl 7-[(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]heptanoate

Systemtic Name: methyl 7-[(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]heptanoate Openeye Name: methyl 7-[(2-bromo-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]heptanoate CAS Name: 7-[[[2-bromo-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[(2-bromo-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]heptanoate Traditional Name: 7-[(2-bromo-5-pyrrolidinosulfonyl-benzoyl)amino]enanthic acid methyl ester Formula: C19H27BrN2O5S MolecularWeight: 475.39708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Br

Isomeric SMILES

COC(=O)CCCCCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Br

InChI

InChI=1S/C19H27BrN2O5S/c1-27-18(23)8-4-2-3-5-11-21-19(24)16-14-15(9-10-17(16)20)28(25,26)22-12-6-7-13-22/h9-10,14H,2-8,11-13H2,1H3,(H,21,24)