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

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C19H19ClN2O5S MolecularWeight: 422.88256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O5S/c20-15-5-4-14(12-18(15)28(24,25)22-7-1-2-8-22)21-19(23)13-3-6-16-17(11-13)27-10-9-26-16/h3-6,11-12H,1-2,7-10H2,(H,21,23)