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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-chloranyl-2-ethylsulfonyl-pyrimidine-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-chloro-2-ethylsulfonyl-pyrimidine-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-chloro-2-ethylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-chloro-2-ethylsulfonylpyrimidine-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-chloro-2-esyl-pyrimidine-4-carboxamide Formula: C19H23ClN4O5S2 MolecularWeight: 486.99272

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C19H23ClN4O5S2/c1-2-30(26,27)19-21-13-16(20)17(23-19)18(25)22-14-7-9-15(10-8-14)31(28,29)24-11-5-3-4-6-12-24/h7-10,13H,2-6,11-12H2,1H3,(H,22,25)