(E)-3-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-(4-methylthiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-(4-methyl-2-thiazolyl)-2-propenenitrile IUPAC Name: (E)-3-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(2-chloro-5-pyrrolidinosulfonyl-anilino)-2-(4-methylthiazol-2-yl)acrylonitrile Formula: C17H17ClN4O2S2 MolecularWeight: 408.92548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(=CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)C#N

Isomeric SMILES

CC1=CSC(=N1)/C(=C/NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)/C#N

InChI

InChI=1S/C17H17ClN4O2S2/c1-12-11-25-17(21-12)13(9-19)10-20-16-8-14(4-5-15(16)18)26(23,24)22-6-2-3-7-22/h4-5,8,10-11,20H,2-3,6-7H2,1H3/b13-10+