(5aS,10bS)-3-ethyl-9-(4-fluorophenyl)sulfonyl-6-methyl-1,2,4,5,5a,10b-hexahydroazepino[4,5-b]indole

Systemtic Name: (5aS,10bS)-3-ethyl-9-(4-fluorophenyl)sulfonyl-6-methyl-1,2,4,5,5a,10b-hexahydroazepino[4,5-b]indole Openeye Name: (5aS,10bS)-3-ethyl-9-(4-fluorophenyl)sulfonyl-6-methyl-1,2,4,5,5a,10b-hexahydroazepino[4,5-b]indole CAS Name: (5aS,10bS)-3-ethyl-9-(4-fluorophenyl)sulfonyl-6-methyl-1,2,4,5,5a,10b-hexahydroazepino[4,5-b]indole IUPAC Name: (5aS,10bS)-3-ethyl-9-(4-fluorophenyl)sulfonyl-6-methyl-1,2,4,5,5a,10b-hexahydroazepino[4,5-b]indole Traditional Name: (5aS,10bS)-3-ethyl-9-(4-fluorophenyl)sulfonyl-6-methyl-1,2,4,5,5a,10b-hexahydroazepin[4,5-b]indole Formula: C21H25FN2O2S MolecularWeight: 388.498803

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2C(CC1)N(C3=C2C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CCN1CC[C@@H]2[C@H](CC1)N(C3=C2C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C21H25FN2O2S/c1-3-24-12-10-18-19-14-17(8-9-20(19)23(2)21(18)11-13-24)27(25,26)16-6-4-15(22)5-7-16/h4-9,14,18,21H,3,10-13H2,1-2H3/t18-,21-/m0/s1