2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)butanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)butanamide Openeye Name: 4-methylsulfanyl-2-(p-tolylsulfonylamino)-N-(6-pyrrolidin-1-yl-3-pyridyl)butanamide CAS Name: 2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-N-[6-(1-pyrrolidinyl)-3-pyridinyl]butanamide IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)butanamide Traditional Name: 4-(methylthio)-N-(6-pyrrolidino-3-pyridyl)-2-(tosylamino)butyramide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=CN=C(C=C2)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=CN=C(C=C2)N3CCCC3

InChI

InChI=1S/C21H28N4O3S2/c1-16-5-8-18(9-6-16)30(27,28)24-19(11-14-29-2)21(26)23-17-7-10-20(22-15-17)25-12-3-4-13-25/h5-10,15,19,24H,3-4,11-14H2,1-2H3,(H,23,26)