N-[6-(azepan-1-yl)pyridin-3-yl]sulfonyl-4-chloranyl-2-(trifluoromethyl)benzamide

Systemtic Name: N-[6-(azepan-1-yl)pyridin-3-yl]sulfonyl-4-chloranyl-2-(trifluoromethyl)benzamide Openeye Name: N-[[6-(azepan-1-yl)-3-pyridyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide CAS Name: N-[[6-(1-azepanyl)-3-pyridinyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide IUPAC Name: N-[6-(azepan-1-yl)pyridin-3-yl]sulfonyl-4-chloro-2-(trifluoromethyl)benzamide Traditional Name: N-[[6-(azepan-1-yl)-3-pyridyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide Formula: C19H19ClF3N3O3S MolecularWeight: 461.88567

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=C(C=C2)S(=O)(=O)NC(=O)C3=C(C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C2=NC=C(C=C2)S(=O)(=O)NC(=O)C3=C(C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C19H19ClF3N3O3S/c20-13-5-7-15(16(11-13)19(21,22)23)18(27)25-30(28,29)14-6-8-17(24-12-14)26-9-3-1-2-4-10-26/h5-8,11-12H,1-4,9-10H2,(H,25,27)