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

Systemtic Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-5-chloranyl-2-ethylsulfonyl-pyrimidine-4-carboxamide Openeye Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-5-chloro-2-ethylsulfonyl-pyrimidine-4-carboxamide CAS Name: N-[4-[4-(1-azepanylsulfonyl)phenyl]-2-thiazolyl]-5-chloro-2-ethylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-5-chloro-2-ethylsulfonylpyrimidine-4-carboxamide Traditional Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-5-chloro-2-esyl-pyrimidine-4-carboxamide Formula: C22H24ClN5O5S3 MolecularWeight: 570.10446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCS(=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/C22H24ClN5O5S3/c1-2-35(30,31)22-24-13-17(23)19(26-22)20(29)27-21-25-18(14-34-21)15-7-9-16(10-8-15)36(32,33)28-11-5-3-4-6-12-28/h7-10,13-14H,2-6,11-12H2,1H3,(H,25,27,29)