3-(phenylmethyl)-9-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole

Systemtic Name: 3-(phenylmethyl)-9-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole Openeye Name: 3-benzyl-9-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole CAS Name: 3-(phenylmethyl)-9-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole IUPAC Name: 3-benzyl-9-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole Traditional Name: 3-benzyl-9-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,5,6-tetrahydro-1H-azepin[4,5-b]indole Formula: C26H23F3N2O2S MolecularWeight: 484.53323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=C1C3=C(N2)C=CC(=C3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC2=C1C3=C(N2)C=CC(=C3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)CC5=CC=CC=C5

InChI

InChI=1S/C26H23F3N2O2S/c27-26(28,29)19-6-8-20(9-7-19)34(32,33)21-10-11-24-23(16-21)22-12-14-31(15-13-25(22)30-24)17-18-4-2-1-3-5-18/h1-11,16,30H,12-15,17H2