N-[1-[3-(4-cyanophenyl)propanoyl]-2,3,4,5-tetrahydro-1-benzazepin-7-yl]benzenesulfonamide

Systemtic Name: N-[1-[3-(4-cyanophenyl)propanoyl]-2,3,4,5-tetrahydro-1-benzazepin-7-yl]benzenesulfonamide Openeye Name: N-[1-[3-(4-cyanophenyl)propanoyl]-2,3,4,5-tetrahydro-1-benzazepin-7-yl]benzenesulfonamide CAS Name: N-[1-[3-(4-cyanophenyl)-1-oxopropyl]-2,3,4,5-tetrahydro-1-benzazepin-7-yl]benzenesulfonamide IUPAC Name: N-[1-[3-(4-cyanophenyl)propanoyl]-2,3,4,5-tetrahydro-1-benzazepin-7-yl]benzenesulfonamide Traditional Name: N-[1-[3-(4-cyanophenyl)propanoyl]-2,3,4,5-tetrahydro-1-benzazepin-7-yl]benzenesulfonamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)CCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(C2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)CCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H25N3O3S/c27-19-21-11-9-20(10-12-21)13-16-26(30)29-17-5-4-6-22-18-23(14-15-25(22)29)28-33(31,32)24-7-2-1-3-8-24/h1-3,7-12,14-15,18,28H,4-6,13,16-17H2