3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(6-pyrazol-1-ylpyridin-3-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(6-pyrazol-1-ylpyridin-3-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-pyrazol-1-yl-3-pyridyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[6-(1-pyrazolyl)-3-pyridinyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-pyrazol-1-ylpyridin-3-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-pyrazol-1-yl-3-pyridyl)benzamide Formula: C21H22ClN5O3S MolecularWeight: 459.94908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CN=C(C=C3)N4C=CC=N4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CN=C(C=C3)N4C=CC=N4)Cl

InChI

InChI=1S/C21H22ClN5O3S/c22-18-8-6-16(14-19(18)31(29,30)26-11-3-1-2-4-12-26)21(28)25-17-7-9-20(23-15-17)27-13-5-10-24-27/h5-10,13-15H,1-4,11-12H2,(H,25,28)