N-[4-[(1-azanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)-(2-morpholin-4-ylethyl)sulfamoyl]phenyl]-4-bromanyl-benzamide

Systemtic Name: N-[4-[(1-azanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)-(2-morpholin-4-ylethyl)sulfamoyl]phenyl]-4-bromanyl-benzamide Openeye Name: N-[4-[[2-amino-2-oxo-1-(sulfanylmethyl)ethyl]-(2-morpholinoethyl)sulfamoyl]phenyl]-4-bromo-benzamide CAS Name: N-[4-[(1-amino-3-mercapto-1-oxopropan-2-yl)-[2-(4-morpholinyl)ethyl]sulfamoyl]phenyl]-4-bromobenzamide IUPAC Name: N-[4-[(1-amino-1-oxo-3-sulfanylpropan-2-yl)-(2-morpholin-4-ylethyl)sulfamoyl]phenyl]-4-bromobenzamide Traditional Name: N-[4-[[2-amino-2-keto-1-(mercaptomethyl)ethyl]-(2-morpholinoethyl)sulfamoyl]phenyl]-4-bromo-benzamide Formula: C22H27BrN4O5S2 MolecularWeight: 571.50758

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN(C(CS)C(=O)N)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1COCCN1CCN(C(CS)C(=O)N)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H27BrN4O5S2/c23-17-3-1-16(2-4-17)22(29)25-18-5-7-19(8-6-18)34(30,31)27(20(15-33)21(24)28)10-9-26-11-13-32-14-12-26/h1-8,20,33H,9-15H2,(H2,24,28)(H,25,29)