3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]propanamide

Systemtic Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]propanamide Openeye Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-pyrrolidin-1-yl-4-pyridyl)methyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[[2-(1-pyrrolidinyl)-4-pyridinyl]methyl]propanamide IUPAC Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-pyrrolidino-4-pyridyl)methyl]propionamide Formula: C21H28N4O3S MolecularWeight: 416.53702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC(=NC=C2)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC(=NC=C2)N3CCCC3)C

InChI

InChI=1S/C21H28N4O3S/c1-16-5-6-19(13-17(16)2)29(27,28)24-10-8-21(26)23-15-18-7-9-22-20(14-18)25-11-3-4-12-25/h5-7,9,13-14,24H,3-4,8,10-12,15H2,1-2H3,(H,23,26)