2-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-[(4-sulfamoylphenyl)methyl]ethanamide

Systemtic Name: 2-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-[(4-sulfamoylphenyl)methyl]ethanamide Openeye Name: 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide CAS Name: 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]-N-[(4-sulfamoylphenyl)methyl]acetamide IUPAC Name: 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide Traditional Name: 2-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]-N-(4-sulfamoylbenzyl)acetamide Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1SCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H21N3O4S2/c20-28(25,26)15-8-5-13(6-9-15)11-21-18(23)12-27-17-10-7-14-3-1-2-4-16(14)22-19(17)24/h1-6,8-9,17H,7,10-12H2,(H,21,23)(H,22,24)(H2,20,25,26)