N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[2-pyrrolidin-1-ylethyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[2-pyrrolidin-1-ylethyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]-2-[2-pyrrolidin-1-ylethyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methyl-2-thiophenyl)methyl]-2-[2-(1-pyrrolidinyl)ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[2-pyrrolidin-1-ylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide Traditional Name: N-homoveratryl-N-[(3-methyl-2-thienyl)methyl]-2-[2-pyrrolidinoethyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]acetamide Formula: C31H38F3N3O5S2 MolecularWeight: 653.77573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)CN(CCN3CCCC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1=C(SC=C1)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)CN(CCN3CCCC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C31H38F3N3O5S2/c1-23-12-18-43-29(23)21-36(15-11-24-9-10-27(41-2)28(19-24)42-3)30(38)22-37(17-16-35-13-4-5-14-35)44(39,40)26-8-6-7-25(20-26)31(32,33)34/h6-10,12,18-20H,4-5,11,13-17,21-22H2,1-3H3