N-[4-(azepan-1-ylsulfonyl)phenyl]-4-iodanyl-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-iodanyl-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-iodo-1-methyl-pyrazole-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-iodo-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-iodo-1-methylpyrazole-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-iodo-1-methyl-pyrazole-3-carboxamide Formula: C17H21IN4O3S MolecularWeight: 488.34311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)I

InChI

InChI=1S/C17H21IN4O3S/c1-21-12-15(18)16(20-21)17(23)19-13-6-8-14(9-7-13)26(24,25)22-10-4-2-3-5-11-22/h6-9,12H,2-5,10-11H2,1H3,(H,19,23)