N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxamide Openeye Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-5-chloro-2-methylsulfonyl-pyrimidine-4-carboxamide CAS Name: N-[4-[4-(1-azepanylsulfonyl)phenyl]-2-thiazolyl]-5-chloro-2-methylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-5-chloro-2-methylsulfonylpyrimidine-4-carboxamide Traditional Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-5-chloro-2-mesyl-pyrimidine-4-carboxamide Formula: C21H22ClN5O5S3 MolecularWeight: 556.07788

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C21H22ClN5O5S3/c1-34(29,30)21-23-12-16(22)18(25-21)19(28)26-20-24-17(13-33-20)14-6-8-15(9-7-14)35(31,32)27-10-4-2-3-5-11-27/h6-9,12-13H,2-5,10-11H2,1H3,(H,24,26,28)