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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methylpyrazole-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methyl-pyrazole-3-carboxamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S/c1-20-13-10-16(19-20)17(22)18-14-6-8-15(9-7-14)25(23,24)21-11-4-2-3-5-12-21/h6-10,13H,2-5,11-12H2,1H3,(H,18,22)