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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-chloro-2-methylsulfonyl-pyrimidine-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-chloro-2-methylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-chloro-2-methylsulfonylpyrimidine-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-chloro-2-mesyl-pyrimidine-4-carboxamide Formula: C18H21ClN4O5S2 MolecularWeight: 472.96614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O5S2/c1-29(25,26)18-20-12-15(19)16(22-18)17(24)21-13-6-8-14(9-7-13)30(27,28)23-10-4-2-3-5-11-23/h6-9,12H,2-5,10-11H2,1H3,(H,21,24)