N-[(3,4-dimethoxyphenyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-(4-pyrrolidinosulfonylphenyl)-N-veratryl-propionamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C22H28N2O5S/c1-28-20-11-7-18(15-21(20)29-2)16-23-22(25)12-8-17-5-9-19(10-6-17)30(26,27)24-13-3-4-14-24/h5-7,9-11,15H,3-4,8,12-14,16H2,1-2H3,(H,23,25)