N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyrrolidinecarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Formula: C21H23ClN2O7S MolecularWeight: 482.93452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4)Cl)OC

InChI

InChI=1S/C21H23ClN2O7S/c1-28-18-12-19(29-2)15(11-14(18)22)23-21(25)16-4-3-7-24(16)32(26,27)13-5-6-17-20(10-13)31-9-8-30-17/h5-6,10-12,16H,3-4,7-9H2,1-2H3,(H,23,25)