1-[4-bromanyl-3-(trifluoromethyloxy)phenyl]sulfonyl-5-chloranyl-4-piperazin-1-yl-indole

Systemtic Name: 1-[4-bromanyl-3-(trifluoromethyloxy)phenyl]sulfonyl-5-chloranyl-4-piperazin-1-yl-indole Openeye Name: 1-[4-bromo-3-(trifluoromethoxy)phenyl]sulfonyl-5-chloro-4-piperazin-1-yl-indole CAS Name: 1-[4-bromo-3-(trifluoromethoxy)phenyl]sulfonyl-5-chloro-4-(1-piperazinyl)indole IUPAC Name: 1-[4-bromo-3-(trifluoromethoxy)phenyl]sulfonyl-5-chloro-4-piperazin-1-ylindole Traditional Name: 1-[4-bromo-3-(trifluoromethoxy)phenyl]sulfonyl-5-chloro-4-piperazino-indole Formula: C19H16BrClF3N3O3S MolecularWeight: 538.76585

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=CC3=C2C=CN3S(=O)(=O)C4=CC(=C(C=C4)Br)OC(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1)C2=C(C=CC3=C2C=CN3S(=O)(=O)C4=CC(=C(C=C4)Br)OC(F)(F)F)Cl

InChI

InChI=1S/C19H16BrClF3N3O3S/c20-14-2-1-12(11-17(14)30-19(22,23)24)31(28,29)27-8-5-13-16(27)4-3-15(21)18(13)26-9-6-25-7-10-26/h1-5,8,11,25H,6-7,9-10H2