N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(3,4,5-trimethoxyphenyl)acetamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-2-(3,4,5-trimethoxyphenyl)acetamide Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H25ClN2O6S/c1-28-17-10-14(11-18(29-2)21(17)30-3)12-20(25)23-15-6-7-16(22)19(13-15)31(26,27)24-8-4-5-9-24/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,23,25)