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

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(3,4,5-trimethoxyphenyl)propanamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-3-(3,4,5-trimethoxyphenyl)propionamide Formula: C22H27ClN2O6S MolecularWeight: 482.97758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O6S/c1-29-18-12-15(13-19(30-2)22(18)31-3)6-9-21(26)24-16-7-8-17(23)20(14-16)32(27,28)25-10-4-5-11-25/h7-8,12-14H,4-6,9-11H2,1-3H3,(H,24,26)