4-(azepan-1-ylsulfonyl)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide Formula: C20H20ClF3N2O3S MolecularWeight: 460.89761

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C20H20ClF3N2O3S/c21-18-10-7-15(13-17(18)20(22,23)24)25-19(27)14-5-8-16(9-6-14)30(28,29)26-11-3-1-2-4-12-26/h5-10,13H,1-4,11-12H2,(H,25,27)