N-(4-chloranyl-3-cyano-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(4-chloranyl-3-cyano-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(4-chloro-3-cyano-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(4-chloro-3-cyanophenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(4-chloro-3-cyanophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(4-chloro-3-cyano-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C16H13ClN2O4S MolecularWeight: 364.80342

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)Cl)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)Cl)C#N)OC1

InChI

InChI=1S/C16H13ClN2O4S/c17-14-4-2-12(8-11(14)10-18)19-24(20,21)13-3-5-15-16(9-13)23-7-1-6-22-15/h2-5,8-9,19H,1,6-7H2