N-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3CC4=C(C=CC(=C4)C#N)NC3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3CC4=C(C=CC(=C4)C#N)NC3)OC1

InChI

InChI=1S/C19H19N3O4S/c20-11-13-2-4-17-14(8-13)9-15(12-21-17)22-27(23,24)16-3-5-18-19(10-16)26-7-1-6-25-18/h2-5,8,10,15,21-22H,1,6-7,9,12H2