4-(azepan-1-ylsulfonyl)-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2-pyridylmethyl)pyrazol-3-yl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(2-pyridinylmethyl)-3-pyrazolyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2-pyridylmethyl)pyrazol-3-yl]benzamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=NN3CC4=CC=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=NN3CC4=CC=CC=N4

InChI

InChI=1S/C22H25N5O3S/c28-22(25-21-12-14-24-27(21)17-19-7-3-4-13-23-19)18-8-10-20(11-9-18)31(29,30)26-15-5-1-2-6-16-26/h3-4,7-14H,1-2,5-6,15-17H2,(H,25,28)