(3-morpholin-4-ylsulfonylphenyl)methyl 2-azanyl-5-bromanyl-benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-azanyl-5-bromanyl-benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C18H19BrN2O5S MolecularWeight: 455.32286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=C(C=CC(=C3)Br)N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=C(C=CC(=C3)Br)N

InChI

InChI=1S/C18H19BrN2O5S/c19-14-4-5-17(20)16(11-14)18(22)26-12-13-2-1-3-15(10-13)27(23,24)21-6-8-25-9-7-21/h1-5,10-11H,6-9,12,20H2