2-methyl-1-(phenylmethyl)sulfonyl-3-piperazin-1-yl-indole; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-methyl-1-(phenylmethyl)sulfonyl-3-piperazin-1-yl-indole; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-benzylsulfonyl-2-methyl-3-piperazin-1-yl-indole; 2,2,2-trifluoroacetic acid CAS Name: 2-methyl-1-(phenylmethyl)sulfonyl-3-(1-piperazinyl)indole; 2,2,2-trifluoroacetic acid IUPAC Name: 1-benzylsulfonyl-2-methyl-3-piperazin-1-ylindole; 2,2,2-trifluoroacetic acid Traditional Name: 1-benzylsulfonyl-2-methyl-3-piperazino-indole; 2,2,2-trifluoroacetic acid Formula: C22H24F3N3O4S MolecularWeight: 483.50387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)N4CCNCC4.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)N4CCNCC4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C20H23N3O2S.C2HF3O2/c1-16-20(22-13-11-21-12-14-22)18-9-5-6-10-19(18)23(16)26(24,25)15-17-7-3-2-4-8-17;3-2(4,5)1(6)7/h2-10,21H,11-15H2,1H3;(H,6,7)