N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C18H19ClN2O6S2 MolecularWeight: 458.93626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)Cl

InChI

InChI=1S/C18H19ClN2O6S2/c19-15-5-3-13(11-18(15)29(24,25)21-7-1-2-8-21)20-28(22,23)14-4-6-16-17(12-14)27-10-9-26-16/h3-6,11-12,20H,1-2,7-10H2