N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2,4,5-trimethoxy-benzamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2,4,5-trimethoxy-benzamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-2,4,5-trimethoxy-benzamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-2,4,5-trimethoxybenzamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-2,4,5-trimethoxy-benzamide Formula: C20H23ClN2O6S MolecularWeight: 454.92442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)OC)OC

InChI

InChI=1S/C20H23ClN2O6S/c1-27-16-12-18(29-3)17(28-2)11-14(16)20(24)22-13-6-7-15(21)19(10-13)30(25,26)23-8-4-5-9-23/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,24)