N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-homoveratryl-2-methyl-5-pyrrolidinosulfonyl-benzamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N2O5S/c1-16-6-8-18(30(26,27)24-12-4-5-13-24)15-19(16)22(25)23-11-10-17-7-9-20(28-2)21(14-17)29-3/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,23,25)