N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-chloro-4-(3-ketopiperazino)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C18H18ClN3O5S MolecularWeight: 423.87062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)Cl

Isomeric SMILES

C1CN(CC(=O)N1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)Cl

InChI

InChI=1S/C18H18ClN3O5S/c19-14-9-12(1-3-15(14)22-6-5-20-18(23)11-22)21-28(24,25)13-2-4-16-17(10-13)27-8-7-26-16/h1-4,9-10,21H,5-8,11H2,(H,20,23)