3-(azepan-1-ylsulfonyl)-N-[3,5-bis(trifluoromethyl)phenyl]-4-chloranyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[3,5-bis(trifluoromethyl)phenyl]-4-chloranyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[3,5-bis(trifluoromethyl)phenyl]-4-chlorobenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[3,5-bis(trifluoromethyl)phenyl]-4-chlorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-benzamide Formula: C21H19ClF6N2O3S MolecularWeight: 528.895579

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClF6N2O3S/c22-17-6-5-13(9-18(17)34(32,33)30-7-3-1-2-4-8-30)19(31)29-16-11-14(20(23,24)25)10-15(12-16)21(26,27)28/h5-6,9-12H,1-4,7-8H2,(H,29,31)