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

Systemtic Name: methyl 5-[(4-bromophenyl)methyl-[(3R)-2-oxidanylideneazepan-3-yl]sulfamoyl]-4-methoxy-thiophene-3-carboxylate Openeye Name: methyl 5-[(4-bromophenyl)methyl-[(3R)-2-oxoazepan-3-yl]sulfamoyl]-4-methoxy-thiophene-3-carboxylate CAS Name: 5-[(4-bromophenyl)methyl-[(3R)-2-oxo-3-azepanyl]sulfamoyl]-4-methoxy-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-bromophenyl)methyl-[(3R)-2-oxoazepan-3-yl]sulfamoyl]-4-methoxythiophene-3-carboxylate Traditional Name: 5-[(4-bromobenzyl)-[(3R)-2-ketoazepan-3-yl]sulfamoyl]-4-methoxy-thiophene-3-carboxylic acid methyl ester Formula: C20H23BrN2O6S2 MolecularWeight: 531.44042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1C(=O)OC)S(=O)(=O)N(CC2=CC=C(C=C2)Br)C3CCCCNC3=O

Isomeric SMILES

COC1=C(SC=C1C(=O)OC)S(=O)(=O)N(CC2=CC=C(C=C2)Br)[C@@H]3CCCCNC3=O

InChI

InChI=1S/C20H23BrN2O6S2/c1-28-17-15(19(25)29-2)12-30-20(17)31(26,27)23(11-13-6-8-14(21)9-7-13)16-5-3-4-10-22-18(16)24/h6-9,12,16H,3-5,10-11H2,1-2H3,(H,22,24)/t16-/m1/s1