N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-3-chloranyl-benzenesulfonamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-3-chloranyl-benzenesulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-3-chloro-benzenesulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-3-chlorobenzenesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-3-chlorobenzenesulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-3-chloro-benzenesulfonamide Formula: C20H17ClN2O6S2 MolecularWeight: 480.94178

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNS(=O)(=O)C3=CC(=CC=C3)Cl)C4=CN=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNS(=O)(=O)C3=CC(=CC=C3)Cl)C4=CN=CC=C4

InChI

InChI=1S/C20H17ClN2O6S2/c21-15-4-1-5-17(9-15)31(26,27)23-12-20(14-3-2-8-22-11-14)30(24,25)16-6-7-18-19(10-16)29-13-28-18/h1-11,20,23H,12-13H2