[5-(phenylsulfonylmethyl)furan-2-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

Systemtic Name: [5-(phenylsulfonylmethyl)furan-2-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone Openeye Name: [5-(benzenesulfonylmethyl)-2-furyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone CAS Name: [5-(benzenesulfonylmethyl)-2-furanyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone IUPAC Name: [5-(benzenesulfonylmethyl)furan-2-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone Traditional Name: [5-(besylmethyl)-2-furyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C2=CC=CC=C2C1)C(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C2=CC=CC=C2C1)C(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21NO4S/c24-22(23-15-7-6-9-17-8-4-5-12-20(17)23)21-14-13-18(27-21)16-28(25,26)19-10-2-1-3-11-19/h1-5,8,10-14H,6-7,9,15-16H2