N-[4-chloranyl-2-[oxidanyl(phenyl)methyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[4-chloranyl-2-[oxidanyl(phenyl)methyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C22H20ClNO5S MolecularWeight: 445.9159

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)Cl)C(C4=CC=CC=C4)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)Cl)C(C4=CC=CC=C4)O)OC1

InChI

InChI=1S/C22H20ClNO5S/c23-16-7-9-19(18(13-16)22(25)15-5-2-1-3-6-15)24-30(26,27)17-8-10-20-21(14-17)29-12-4-11-28-20/h1-3,5-10,13-14,22,24-25H,4,11-12H2