methyl 5-[(4-bromophenyl)methyl-[(3R)-2-oxidanylideneazepan-3-yl]sulfamoyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(4-bromophenyl)methyl-[(3R)-2-oxidanylideneazepan-3-yl]sulfamoyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-bromophenyl)methyl-[(3R)-2-oxoazepan-3-yl]sulfamoyl]furan-2-carboxylate CAS Name: 5-[(4-bromophenyl)methyl-[(3R)-2-oxo-3-azepanyl]sulfamoyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-bromophenyl)methyl-[(3R)-2-oxoazepan-3-yl]sulfamoyl]furan-2-carboxylate Traditional Name: 5-[(4-bromobenzyl)-[(3R)-2-ketoazepan-3-yl]sulfamoyl]furan-2-carboxylic acid methyl ester Formula: C19H21BrN2O6S MolecularWeight: 485.34884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)S(=O)(=O)N(CC2=CC=C(C=C2)Br)C3CCCCNC3=O

Isomeric SMILES

COC(=O)C1=CC=C(O1)S(=O)(=O)N(CC2=CC=C(C=C2)Br)[C@@H]3CCCCNC3=O

InChI

InChI=1S/C19H21BrN2O6S/c1-27-19(24)16-9-10-17(28-16)29(25,26)22(12-13-5-7-14(20)8-6-13)15-4-2-3-11-21-18(15)23/h5-10,15H,2-4,11-12H2,1H3,(H,21,23)/t15-/m1/s1