4-(phenylsulfonyl)-N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)thiophene-2-sulfonamide

Systemtic Name: 4-(phenylsulfonyl)-N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)thiophene-2-sulfonamide Openeye Name: 4-(benzenesulfonyl)-N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)thiophene-2-sulfonamide CAS Name: 4-(benzenesulfonyl)-N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)-2-thiophenesulfonamide IUPAC Name: 4-(benzenesulfonyl)-N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)thiophene-2-sulfonamide Traditional Name: 4-besyl-N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)thiophene-2-sulfonamide Formula: C20H20N2O4S3 MolecularWeight: 448.5788

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CNC1)C=C(C=C2)NS(=O)(=O)C3=CC(=CS3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC2=C(CNC1)C=C(C=C2)NS(=O)(=O)C3=CC(=CS3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20N2O4S3/c23-28(24,18-6-2-1-3-7-18)19-12-20(27-14-19)29(25,26)22-17-9-8-15-5-4-10-21-13-16(15)11-17/h1-3,6-9,11-12,14,21-22H,4-5,10,13H2