N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-pyrazol-1-yl-pyridine-3-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-pyrazol-1-yl-pyridine-3-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-pyrazol-1-yl-pyridine-3-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(1-pyrazolyl)-3-pyridinecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-pyrazol-1-ylpyridine-3-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-pyrazol-1-yl-nicotinamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=C(N=CC=C3)N4C=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=C(N=CC=C3)N4C=CC=N4

InChI

InChI=1S/C22H25N5O4S/c1-31-20-10-9-17(32(29,30)26-13-4-2-3-5-14-26)16-19(20)25-22(28)18-8-6-11-23-21(18)27-15-7-12-24-27/h6-12,15-16H,2-5,13-14H2,1H3,(H,25,28)