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

Systemtic Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-5-chloranyl-2-propylsulfonyl-pyrimidine-4-carboxamide Openeye Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-5-chloro-2-propylsulfonyl-pyrimidine-4-carboxamide CAS Name: N-[4-[4-(1-azepanylsulfonyl)phenyl]-2-thiazolyl]-5-chloro-2-propylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-5-chloro-2-propylsulfonylpyrimidine-4-carboxamide Traditional Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-5-chloro-2-propylsulfonyl-pyrimidine-4-carboxamide Formula: C23H26ClN5O5S3 MolecularWeight: 584.13104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCS(=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/C23H26ClN5O5S3/c1-2-13-36(31,32)23-25-14-18(24)20(27-23)21(30)28-22-26-19(15-35-22)16-7-9-17(10-8-16)37(33,34)29-11-5-3-4-6-12-29/h7-10,14-15H,2-6,11-13H2,1H3,(H,26,28,30)