[3-(azepan-1-ylsulfonyl)phenyl]-[2-(trifluoromethyl)phenothiazin-10-yl]methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-[2-(trifluoromethyl)phenothiazin-10-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-[2-(trifluoromethyl)phenothiazin-10-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)phenyl]-[2-(trifluoromethyl)-10-phenothiazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-[2-(trifluoromethyl)phenothiazin-10-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-[2-(trifluoromethyl)phenothiazin-10-yl]methanone Formula: C26H23F3N2O3S2 MolecularWeight: 532.59763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F

InChI

InChI=1S/C26H23F3N2O3S2/c27-26(28,29)19-12-13-24-22(17-19)31(21-10-3-4-11-23(21)35-24)25(32)18-8-7-9-20(16-18)36(33,34)30-14-5-1-2-6-15-30/h3-4,7-13,16-17H,1-2,5-6,14-15H2